SCHEMBL1748026

SCHEMBL1748026

Cc1cc2nc(Cl)sc2cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 2/20 0.59
CYP3A4 P08684 2/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 3/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.39
OPRK1 P41145 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
NQO2 P16083 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL9963482 0.81 SMN1; SMN2 (0.52) GAAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL11336444 0.81 ALDH1A1 (0.50) GAAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL8100695 0.77 KMT2A (0.44) GAAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL30422583 0.77 GAA (1.00) GAAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL33272 0.77 GAA (1.00) GAAALDH1A1SMN1; SMN2TP53CYP3A4
Bromide SCHEMBL10995945 0.76 GAA (0.95) GAAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL21340393 0.75 KMT2A (0.43) GAASMN1; SMN2CYP3A4KMT2ANPC1
SCHEMBL780451 0.75 RAB9A (0.61) GAAALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL30189802 0.75 SMN1; SMN2 (0.51) GAAALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL799569 0.75 SMN1; SMN2 (0.51) GAAALDH1A1SMN1; SMN2TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011131975-A1 MICROSOMAL PROSTAGLANDIN E SYNTASE-1 INHIBITORS Convergence Pharmaceuticals Limited (GB) 2011-10-27 WO disclosed
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 US disclosed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 US disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
WO-2005003127-A1 BICYCLIC HETEROAROMATIC DERIVATIVES AS MODULATORS OF CXCR3 FUNCTION CELLTECH R & D LIMITED (GB) 2005-01-13 WO disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed
EP-1087962-A4 PREPARATION OF HETEROARYL COMPOUNDS LILLY CO ELI (US) 2001-10-04 EP disclosed
EP-1087962-A1 PREPARATION OF HETEROARYL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-04-04 EP disclosed
WO-1999065896-A1 PREPARATION OF HETEROARYL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
US-4952589-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-08-28 US disclosed
EP-0181163-B1 HETEROCYCLIC PHENOXY DERIVATIVES HAVING AN ANTIHISTAMINE H2 ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP disclosed
US-4681883-A Histamine H2 -antagonist oxazole and thiazole derivatives and compositions therefor SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-07-21 US disclosed
EP-0181163-A2 Heterocyclic phenoxy derivatives having an antihistamine H2 activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP 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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC GAA 307/4885ALDH1A1 199/4885SMN1; SMN2 3975/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC GAA 307/4885ALDH1A1 199/4885SMN1; SMN2 3975/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC GAA 307/4885ALDH1A1 199/4885SMN1; SMN2 3975/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC GAA 307/4885ALDH1A1 199/4885SMN1; SMN2 3975/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC GAA 307/4885ALDH1A1 199/4885SMN1; SMN2 3975/4885

“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.