SCHEMBL2285403

SCHEMBL2285403

COc1c(F)c[c]cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGS2 P35354 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
SCHEMBL533056 0.84 DBH (0.33) KDM4EALDH1A1
SCHEMBL233448 0.84 KDM4E (0.36) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL943527 0.76 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10PTGS2
SCHEMBL2286065 0.76 KDM4E (0.31) KDM4EALDH1A1HSD17B10
SCHEMBL2284682 0.76 ACHE (0.30)
SCHEMBL944353 0.76 ACHE (0.34) PTGS2
SCHEMBL2289380 0.74 CA2 (0.40) KDM4EALDH1A1HSD17B10
SCHEMBL2285289 0.74 CA2 (0.40)
SCHEMBL2291636 0.74 MAPT (0.34)
SCHEMBL15390519 0.71 CYP11B1 (0.33) KDM4EALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN disclosed
EP-3071560-B1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS BASF SE (DE) 2018-01-10 EP disclosed
EP-2352371-B1 SAFENING 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)-2-PYRIDINECARBOXYLATE HERBICIDE INJURY ON DIRECT SEEDED AND TRANSPLANTED PADDY RICE DOW AGROSCIENCES LLC (US) 2017-12-20 EP disclosed
US-9783523-B2 N-acylimino heterocyclic compounds BASF SE (DE) 2017-10-10 US disclosed
US-20160297793-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS BASF SE (DE) 2016-10-13 US disclosed
EP-2435420-B1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-04-03 EP disclosed
US-20120190687-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG 2012-07-26 US 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
US-7989394-B2 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds BASF SE (DE) 2011-08-02 US disclosed
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds BASF SE (DE) 2009-05-21 US 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

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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi CBR3, C1S, PYM1 TAS1R3 2128/4885TAS1R1 3036/4885TAS1R2 3029/4885
US-20120190687-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 TAS1R3 3771/4885TAS1R1 4573/4885TAS1R2 4161/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 TAS1R3 4362/4885TAS1R1 4618/4885TAS1R2 4312/4885
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds AAAS, AIPL1, ATXN2 TAS1R3 1246/4885TAS1R1 890/4885TAS1R2 683/4885
US-20160297793-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS CBR3, C5, ALOX5 TAS1R3 2599/4885TAS1R1 3873/4885TAS1R2 3413/4885

“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.