SCHEMBL159595

SCHEMBL159595

COc1c(Cl)[c]ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HTR5A P47898 1/20 0.30

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
SCHEMBL2884958 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10TSHRMAPK1
SCHEMBL8012068 0.80 KDM4E (0.31) ALDH1A1KDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL831500 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TSHRMAPK1
SCHEMBL315476 0.80 MAPT (0.33) ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL8682848 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10TSHRMAPK1
SCHEMBL719277 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TSHRMAPK1
SCHEMBL1299017 0.78 MGAM (0.37) ALDH1A1KDM4EHSD17B10TSHRMAPK1
SCHEMBL16974713 0.78 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10TSHRMAPK1
SCHEMBL2345893 0.78 PTGS2 (0.33) ALDH1A1KDM4EMAPK1SMN1; SMN2MGAM
SCHEMBL2730183 0.78 KDM4E (0.33) ALDH1A1KDM4EHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
EP-3615527-B1 NEW AZAQUINOLINE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2024-03-06 EP disclosed
CN-110770227-B Novel azaquinoline derivatives 拜耳动物保健有限责任公司 2024-03-01 CN disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230174492-A1 SUBSTITUTED CONDENSED AZINES AS ANTHELMINTIC COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2023-06-08 US disclosed
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING NOVIUS THERAPEUTICS, LLC (US) 2023-05-18 US disclosed
CN-110536892-B Novel bicyclic pyrazole derivatives 拜耳动物保健有限责任公司 2023-05-12 CN disclosed
EP-4132911-A1 SUBSTITUTED CONDENSED AZINES AS ANTHELMINTIC COMPOUNDS Bayer Animal Health GmbH (DE) 2023-02-15 EP disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
US-8008232-B2 Such as N-(3',4'-dichlorobiphenyl-2-yl)-5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide; seeds BASF AKTIENGESELLSCHAFT (DE) 2011-08-30 US disclosed
EP-1945630-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2008-07-23 EP disclosed
US-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi BASF AKITENGESELLSCHAFT (DE) 2008-06-26 US disclosed
WO-2007052123-A2 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2007-05-10 WO disclosed
US-5834404-A Substituted bicycloheptanedione derivative and herbicide NIPPON SODA CO., LTD. (JP) 1998-11-10 US disclosed
EP-0791572-A1 SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1997-08-27 EP 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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi CBR3, C1S, PYM1 ALDH1A1 4489/4885KDM4E 1801/4885HSD17B10 3976/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALDH1A1 1273/4885KDM4E 2133/4885HSD17B10 1623/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALDH1A1 1273/4885KDM4E 2133/4885HSD17B10 1623/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ALDH1A1 994/4885KDM4E 1325/4885HSD17B10 1153/4885
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING FABP5, FABP1, FABP4 ALDH1A1 521/4885KDM4E 2511/4885HSD17B10 259/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ALDH1A1 994/4885KDM4E 1325/4885HSD17B10 1153/4885
US-20230174492-A1 SUBSTITUTED CONDENSED AZINES AS ANTHELMINTIC COMPOUNDS H1-5, H1-10, H1-0 ALDH1A1 188/4885KDM4E 1891/4885HSD17B10 3192/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALDH1A1 1273/4885KDM4E 2133/4885HSD17B10 1623/4885

“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.