SCHEMBL4415525

SCHEMBL4415525

NCc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.84
HRH3 Q9Y5N1 1/20 0.74
TAAR1 Q96RJ0 5/20 0.65
MAOB P27338 3/20 0.64
CYP1A2 P05177 1/20 0.49
AGXT P21549 2/20 0.47
CYP2A6 P11509 1/20 0.47
ADRB2 P07550 1/20 0.46
IDO1 P14902 2/20 0.46
ALOX5 P09917 1/20 0.46

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
Hydrochloric Acid SCHEMBL20497365 0.97 LOXL2 (0.80) LOXL2HRH3TAAR1MAOBCYP1A2
SCHEMBL21063 0.92
Hydrochloric Acid SCHEMBL3847812 0.89 LOXL2 (0.94) LOXL2HRH3TAAR1MAOBAGXT
Bromide SCHEMBL31513710 0.89 LOXL2 (0.94) LOXL2HRH3TAAR1MAOBAGXT
Iodide SCHEMBL20838270 0.89 LOXL2 (0.94) LOXL2HRH3TAAR1MAOBAGXT
Hydrochloric Acid SCHEMBL3830237 0.89 LOXL2 (0.94) LOXL2HRH3TAAR1MAOBAGXT
Ammonia Solution, Strong SCHEMBL4750128 0.89 LOXL2 (0.94) LOXL2HRH3TAAR1MAOBAGXT
Hydrochloric Acid SCHEMBL6153650 0.86 LOXL2 (0.89) LOXL2HRH3TAAR1MAOBAGXT
SCHEMBL2274647 0.86 HRH3 (1.00) LOXL2HRH3TAAR1CYP2A6ADRB2
Ethylamine SCHEMBL1568352 0.84 LOXL2 (0.84) LOXL2HRH3TAAR1MAOBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2600874-B1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2015-03-04 EP disclosed
US-8716281-B2 Pyrimidine compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2014-05-06 US disclosed
US-8716281-B2 Pyrimidine compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2014-05-06 US disclosed
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-06-20 US disclosed
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-06-20 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 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
EP-1301464-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2003-04-16 EP disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 US disclosed
WO-2002004403-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-17 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 (4 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 LOXL2 3229/4885HRH3 3087/4885TAAR1 4742/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A LOXL2 3182/4885HRH3 3362/4885TAAR1 4354/4885
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE DCK, DTYMK, TYMS LOXL2 3937/4885HRH3 4015/4885TAAR1 3557/4885
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 LOXL2 2602/4885HRH3 2320/4885TAAR1 1645/4885

“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.