SCHEMBL7307658

SCHEMBL7307658

N#Cc1ccccc1-c1cccc(CBr)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.56
FFAR1 O14842 3/20 0.46
ESR2 Q92731 1/20 0.46
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16368530 0.83 CYP19A1 (0.56) CYP19A1FFAR1ESR2GABRG2GABRB3
SCHEMBL8486934 0.83 TRPA1 (0.49) CYP19A1FFAR1ESR2GABRG2GABRB3
Hydrochloric Acid SCHEMBL16343426 0.82 CYP19A1 (0.54) CYP19A1FFAR1ESR2GABRG2GABRB3
SCHEMBL31772593 0.81 ESR2 (0.59) CYP19A1FFAR1ESR2GABRG2GABRB3
SCHEMBL357 0.81 ESR2 (0.59) CYP19A1FFAR1ESR2GABRG2GABRB3
SCHEMBL7795534 0.79 ESR2 (0.41) CYP19A1FFAR1ESR2GABRG2GABRB3
SCHEMBL1373278 0.78 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10MEN1MAPK1
SCHEMBL1838707 0.78 CYP19A1 (0.55) CYP19A1ESR2GABRG2GABRB3GABRA5
SCHEMBL8155256 0.78 CYP19A1 (0.55) CYP19A1ESR2GABRG2GABRB3GABRA5
SCHEMBL27895577 0.78 ESR2 (0.69) CYP19A1FFAR1ESR2GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497300-C Production method of aminobenzene compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2009-06-10 CN disclosed
CN-1537105-A Quinazolines useful as MMP-13 inhibitors ��������ʲ��������ι�˾ 2004-10-13 CN disclosed
US-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US disclosed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
CN-1058966-C Producing process for crystal of 2-oxyethyl-1-[2'-(1H-tetrazole-5-radical)diphenyl-4-(methyl)benzimidazole-7-hydroxy acid 1-(cyclohexyloxy) ethyl ester TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-11-29 CN disclosed
CN-1048486-C Benzimidazole derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-01-19 CN disclosed
CN-1203223-A Production method of aminobenzene compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-30 CN disclosed
CN-1147515-A Producing process for crystal of 2-oxyethyl-1-[2'-(1H-tetrazole-5-radical)diphenyl-4-(methyl)benzimidazole-7-hydroxy acid 1-(cyclohexyloxy) ethyl ester TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-16 CN disclosed
CN-1025331-C Biphenylmethane derivative and pharmacological use EISAI CO LTD (JP) 1994-07-06 CN disclosed
CN-1055927-A Benzimidazole derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-11-06 CN disclosed
EP-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed
CN-1050539-A Diphenyl methane derivative and medicinal EISAI CO LTD (JP) 1991-04-10 CN 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 (1 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 CYP19A1 4833/4885FFAR1 4207/4885ESR2 4349/4885

“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.