SCHEMBL398356

SCHEMBL398356

Nc1ccccc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 4/20 0.52
TP53 P04637 2/20 0.52
HTR2B P41595 1/20 0.48
PDE4D Q08499 1/20 0.48
CYP3A4 P08684 2/20 0.46
PTPN1 P18031 1/20 0.46
RECQL P46063 1/20 0.44
S100A4 P26447 1/20 0.44
IDO1 P14902 4/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP28 Q96RU2 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ADORA2A P29274 1/20 0.40

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
SCHEMBL9732124 0.85 TSHR (0.58) ALDH1A1TSHRTP53HTR2BPDE4D
SCHEMBL397076 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRTP53CYP3A4
SCHEMBL29416774 0.82 PTPN1 (0.56) ALDH1A1TSHRTP53HTR2BPDE4D
SCHEMBL29983105 0.82 PTPN1 (0.56) ALDH1A1TSHRTP53HTR2BPDE4D
SCHEMBL381603 0.82 PTPN1 (0.56) ALDH1A1TSHRTP53HTR2BPDE4D
SCHEMBL642233 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRTP53CYP3A4
SCHEMBL3279467 0.80 ALDH1A1 (0.68) ALDH1A1L3MBTL1TSHRTP53CYP3A4
SCHEMBL17785867 0.80 ALDH1A1 (0.68) ALDH1A1L3MBTL1TSHRTP53CYP3A4
SCHEMBL29364307 0.79 TP53 (0.61) ALDH1A1TSHRTP53HTR2BPDE4D
SCHEMBL440944 0.79 TP53 (0.61) ALDH1A1TSHRTP53HTR2BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BASF SE (DE) 2009-01-08 US claimed
EP-1996018-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2008-12-03 EP claimed
WO-2007104658-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2007-09-20 WO claimed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-6627643-B2 Sodium-hydrogen exchanger type 1 (NHE-1) inhibitors of formula I' are useful for the prevention and treatment of myocardial ischemic injury. Myocardial ischemic injury can occur in out-patient in perioperative settings and can lead to sudden PFIZER INC. 2003-09-30 US disclosed
EP-1337508-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS Pfizer Products Inc. (US) 2003-08-27 EP disclosed
WO-2003051845-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-06-26 WO disclosed
US-20030119873-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER INC. 2003-06-26 US disclosed
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors LAMBERT JOHN F (US) 2002-06-27 US disclosed
WO-2002044133-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-06-06 WO disclosed
EP-0215312-B1 METHOD FOR PRODUCING OF POLYARYLENE SULFIDES IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1992-03-25 EP disclosed
EP-0215312-A1 Method for producing of polyarylene sulfides IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1987-03-25 EP disclosed
EP-0213080-A2 Hydrogenated pyridine derivatives CIBA-GEIGY AG (CH) 1987-03-04 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 (7 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BROX, CAT, SLC11A2 ALDH1A1 2207/4885L3MBTL1 417/4885TSHR 3387/4885
US-20030119873-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS NHERF1, SLC9A1, SLC9A2 ALDH1A1 637/4885L3MBTL1 4798/4885TSHR 2288/4885
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors SLC9A1, NHERF1, SLC9A5 ALDH1A1 531/4885L3MBTL1 4619/4885TSHR 1725/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885TSHR 2753/4885

“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.