SCHEMBL9610086

SCHEMBL9610086

COC(=O)Cc1ccc(-c2ccc(N)c(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
GFER P55789 1/20 0.54
ESR2 Q92731 1/20 0.50
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
CHEK1 O14757 2/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSP90AB1 P08238 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
ACLY P53396 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2434505 0.88 ALDH1A1 (0.64) ALDH1A1GAAGFERCYP3A4TSHR
Hydrochloric Acid SCHEMBL6560031 0.86 ALDH1A1 (0.62) ALDH1A1GAAGFERCYP3A4TSHR
SCHEMBL9610089 0.86 ESR2 (0.47) ALDH1A1ESR2CYP3A4TSHRMAPK1
SCHEMBL19068062 0.79 MAPT (0.58) ALDH1A1GAAGFERTSHRMAPK1
SCHEMBL3784804 0.78 ALDH1A1 (0.69) ALDH1A1GAAGFERTSHRMAPK1
SCHEMBL19068063 0.78 TAAR1 (0.54) CYP4F2CYP4A11ACLY
SCHEMBL18530474 0.77 MAPT (0.55) ALDH1A1GAAESR2CYP3A4TSHR
SCHEMBL9612040 0.76 MAPT (0.46) ALDH1A1CYP4F2CYP4A11NPC1LMNA
SCHEMBL30565426 0.76 ALDH1A1 (0.75) ALDH1A1GAAGFERTSHRCYP4F2
SCHEMBL7237331 0.76 ALDH1A1 (0.75) ALDH1A1GAAGFERTSHRCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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 (2 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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT ALDH1A1 167/4885GAA 246/4885GFER 2112/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E ALDH1A1 411/4885GAA 954/4885GFER 2335/4885

“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.