SCHEMBL4046581

SCHEMBL4046581

NC(=O)c1c(F)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.40
MAP2 P11137 2/20 0.39
CASP1 P29466 1/20 0.37
IDO1 P14902 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PBRM1 Q86U86 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
POLB P06746 1/20 0.36
SPR P35270 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL3024877 0.89 GRM2 (0.42) GRM2MAP2CASP1IDO1PBRM1
SCHEMBL1002836 0.84 ALDH1A1 (0.43) CASP1L3MBTL1SRCKDRPOLB
SCHEMBL4163281 0.83 GRM2 (0.38) GRM2CASP1IDO1PBRM1POLB
SCHEMBL1398127 0.82 CYP3A4 (0.41) GRM2MAP2CASP1IDO1PBRM1
SCHEMBL3023635 0.82 SPR (0.46) GRM2MAP2CASP1POLBSPR
SCHEMBL20639027 0.81 ALDH1A1 (0.41) CASP1SPRALDH1A1CYP3A4TSHR
SCHEMBL4043412 0.81 AKR1C4 (0.45) CASP1POLBSPRALDH1A1CYP3A4
SCHEMBL24619347 0.80 DGAT1 (0.47) CASP1IDO1PBRM1POLBALDH1A1
SCHEMBL31140501 0.80 DGAT1 (0.39) GRM2MAP2CASP1IDO1PBRM1
SCHEMBL5952491 0.80 POLB (0.50) GRM2MAP2L3MBTL1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-20220251109-A1 OXAAZAQUINAZOLINE-7(8H)-KETONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-08-11 US disclosed
EP-3964516-A1 OXAAZAQUINAZOLINE-7(8H)-KETONE COMPOUND, PREPARATION METHOD THERFOR AND PHARMACEUTICAL APPLICATION THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-03-09 EP disclosed
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US disclosed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP disclosed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US disclosed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP disclosed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO disclosed
WO-2006086464-A2 DIHYDROQUINAZOLINONES AS 5HT MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-17 WO disclosed
US-20060178386-A1 Dihydroquinazolinones as 5HT modulators BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 GRM2 4620/4885MAP2 1178/4885CASP1 1131/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A GRM2 4548/4885MAP2 1267/4885CASP1 404/4885
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 GRM2 477/4885MAP2 3530/4885CASP1 408/4885
US-20220251109-A1 OXAAZAQUINAZOLINE-7(8H)-KETONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF KRAS, NRAS, WEE1 GRM2 4241/4885MAP2 1511/4885CASP1 1893/4885
US-20060178386-A1 Dihydroquinazolinones as 5HT modulators HTR3B, HTR2C, HTR2B GRM2 106/4885MAP2 3523/4885CASP1 3669/4885

“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.