SCHEMBL968360

SCHEMBL968360

CNC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRM5 P08912 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
CHRNA7 P36544 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12845027 0.80 MAPK1 (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM1
SCHEMBL25256002 0.80 ALDH1A1 (0.42) ALDH1A1POLBMEN1KMT2A
SCHEMBL3361549 0.80 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL18080822 0.80 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL30678963 0.78 ALDH1A1 (0.41) ALDH1A1POLB
SCHEMBL6497498 0.78 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM1
SCHEMBL18736915 0.78 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM1
SCHEMBL824557 0.77 CHRNB2 (0.42) CHRNB2CHRNA4NFKB1SMN1; SMN2LMNA
SCHEMBL9518575 0.77 ALDH1A1 (0.38) NFKB1LMNAALDH1A1POLBMEN1
SCHEMBL18080821 0.77 ALDH1A1 (0.33) ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105360-B BCL-2 protein degrading agent for cancer treatment 生物风险投资有限责任公司 2024-01-30 CN disclosed
CN-112105360-A BCL-2 protein degrading agents for cancer treatment 生物风险投资有限责任公司 2020-12-18 CN disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-9963463-B2 Urea-substituted indanes as P38 map kinase inhibitors TORRENT PHARMACEUTICALS LIMITED (IN) 2018-05-08 US disclosed
US-20170362265-A1 METHODS FOR MODULAR SYNTHESIS OF N-GLYCANS AND ARRAYS THEREOF ACADEMIA SINICA (TW) 2017-12-21 US disclosed
WO-2017156192-A1 METHODS FOR MODULAR SYNTHESIS OF N-GLYCANS AND ARRAYS THEREOF ACADEMIA SINICA (TW) 2017-09-14 WO disclosed
US-20170247390-A1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2017-08-31 US disclosed
WO-2017108738-A1 1-(3-TERT-BUTYL-2H-PYRAZOL-5-YL OR 5-TERT-BUTYL-ISOXAOL-3-YL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO-NAPHTHALENYL) UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 WO disclosed
US-9463192-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-11 US disclosed
US-9242977-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2016-01-26 US disclosed
US-20130143914-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-06 US disclosed
US-8344156-B2 Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-01-01 US disclosed
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 US disclosed
US-7884216-B2 Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarbonitrile derivative and method for producing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-02-08 US disclosed
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2011-01-20 US disclosed
EP-2263999-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2010-12-22 EP disclosed
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC (JP) 2010-01-21 US disclosed
EP-2128139-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-02 EP disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130143914-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT ARG2, MAPK1, URB2 CHRNB2 2994/4885CHRNA4 4495/4885CHRM2 380/4885
US-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA CHRNB2 1873/4885CHRNA4 842/4885CHRM2 2173/4885
US-20170247390-A1 P38 MAP KINASE INHIBITING INDANYL UREA COMPOUNDS MAPK1, MAP3K11, MAPK3 CHRNB2 2285/4885CHRNA4 2817/4885CHRM2 842/4885
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CNKSR1, MOK, MAPK1 CHRNB2 1840/4885CHRNA4 2465/4885CHRM2 87/4885
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME AFF1, AFF2, PFAS CHRNB2 4218/4885CHRNA4 3673/4885CHRM2 3714/4885
US-20110015406-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE AADAC, AFF1, AFF2 CHRNB2 4233/4885CHRNA4 3622/4885CHRM2 2615/4885
US-20170362265-A1 METHODS FOR MODULAR SYNTHESIS OF N-GLYCANS AND ARRAYS THEREOF SIGLEC7, SIGLEC9, CD4 CHRNB2 3130/4885CHRNA4 3190/4885CHRM2 1966/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA CHRNB2 1873/4885CHRNA4 842/4885CHRM2 2173/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.