SCHEMBL1989192

SCHEMBL1989192

COCc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.64
HTT P42858 2/20 0.61
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.47
NR4A2 P43354 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
S1PR4 O95977 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL3221093 0.92 IDO1 (0.56) IDO1HTTMAPK1CYP1A2CYP3A4
SCHEMBL30517263 0.84 IDO1 (0.45) IDO1HTTMAPK1CYP1A2CYP3A4
SCHEMBL29018344 0.84 IDO1 (0.45) IDO1HTTMAPK1CYP1A2CYP3A4
SCHEMBL13756276 0.84 IDO1 (0.47) IDO1HTTMAPK1CYP1A2CYP3A4
SCHEMBL22519886 0.83 HTT (0.61) IDO1HTTMAPK1CYP1A2CYP3A4
SCHEMBL1145754 0.83 IDO1 (0.44) IDO1HTTMAPK1CYP1A2CYP3A4
SCHEMBL165560 0.82 IDO1 (0.69) IDO1HTTMAPK1CYP1A2CYP3A4
SCHEMBL29984975 0.82 IDO1 (0.69) IDO1HTTMAPK1CYP1A2CYP3A4
SCHEMBL7888003 0.82 IDO1 (0.69) IDO1HTTMAPK1CYP1A2CYP3A4
SCHEMBL12887523 0.81 IDO1 (0.42) IDO1HTTMAPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230620-A1 SUBSTITUTED N-AMINO-N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2023-08-23 EP disclosed
EP-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 EP disclosed
WO-2021013800-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed
CN-110694652-A Method for generating ester compound by catalytic oxidation of ether compound with visible light excited silver iodide and bismuth vanadate composite material 潍坊医学院 2020-01-17 CN disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 US disclosed
US-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-07-20 US disclosed
EP-2877176-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK PF MEDICAMENT (FR) 2017-04-26 EP disclosed
US-9428510-B2 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing Trk PIERRE FABRE MEDICAMENT (FR) 2016-08-30 US disclosed
US-9381195-B2 Derivatives of azaindazole or diazaindazole type for treating pain PIERRE FABRE MEDICAMENT (FR) 2016-07-05 US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-7244713-B2 Nucleoside compounds for treating viral infections GENELABS TECHNOLOGIES, INC. (US) 2007-07-17 US disclosed
US-20070037976-A1 such as 1-amino-2-phenylpropane by reacting unsaturated nitroolefin with organosilicon compounds such as poly(methylhydrosiloxane) and phenylsilane, in presence of asymmetric copper complex having phosphine ligand SUMITOMO CHEMICAL COMPANY, LIMITED ERICK M. CARREIRA 2007-02-15 US disclosed
WO-2006074051-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING β-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
EP-1641740-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-04-05 EP disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
WO-2004103951-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 WO disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
EP-0052028-B1 HEXAPEPTIDES, THEIR MANUFACTURE, THEIR USE IN MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1984-02-08 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 (5 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 890/4885HTT 2842/4885MAPK1 509/4885
US-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME HSPH1, HBZ, PITHD1 IDO1 3581/4885HTT 452/4885MAPK1 2719/4885
US-20070037976-A1 such as 1-amino-2-phenylpropane by reacting unsaturated nitroolefin with organosilicon compounds such as poly(methylhydrosiloxane) and phenylsilane, in presence of asymmetric copper complex having phosphine ligand L1CAM, SPATS2L, AAAS IDO1 2092/4885HTT 2587/4885MAPK1 1170/4885
US-20190125728-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE IDO1 1695/4885HTT 2/4885MAPK1 308/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 IDO1 446/4885HTT 4597/4885MAPK1 1254/4885

“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.