SCHEMBL4166189

SCHEMBL4166189

OCc1cnc(-c2ccccc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
ADORA2A P29274 1/20 0.41
CSNK2A1 P68400 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MALT1 Q9UDY8 4/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC1 Q13547 1/20 0.39
TSHR P16473 1/20 0.39
MAP2K4 P45985 1/20 0.38
RECQL P46063 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL20987058 0.80 CYP11B1 (0.48) HPGDCYP11B1CYP11B2MEN1KMT2A
SCHEMBL4156248 0.80 ADH5 (0.36) TRPV1CYP11B1MEN1KMT2AMALT1
SCHEMBL3612433 0.78 HDAC1 (0.58) HPGDMEN1KMT2AMALT1KCNH2
SCHEMBL13741429 0.77 NPC1 (0.52) HPGDMEN1KMT2AHDAC1
SCHEMBL363943 0.77 ADORA2A (0.48) HPGDADORA2AMEN1KMT2A
SCHEMBL23300377 0.76 ALDH1A1 (0.53) HPGDADORA2A
SCHEMBL16675782 0.76 MAP2K4 (0.55) NR1H2NR1H3KCNH2MAP2K4
SCHEMBL4171181 0.75 TSHR (0.42) HPGDMEN1KMT2ATSHRRECQL
SCHEMBL15198855 0.74 KCNH2 (0.35) TRPV1MALT1KCNH2HDAC1RECQL
SCHEMBL12970557 0.73 MAP2K4 (0.46) NR1H2NR1H3MALT1HDAC1MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
US-20090163535-A1 Substituted Heteroarylalkanoic Acids THE INSTITUES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2009-06-25 US disclosed
EP-1444228-B1 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS INST FOR PHARM DISCOVERY INC (US) 2008-05-21 EP disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
US-7361671-B2 Substituted heteroarylalkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2008-04-22 US disclosed
EP-1444228-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2004-08-11 EP disclosed
US-20030166668-A1 Substituted heteroarylalkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. A CORPORATION OF THE STATE OF DELAWARE 2003-09-04 US disclosed
WO-2003044015-A2 SUBSTITUTED HETEROARYLALKANOIC ACIDS AND THEIR USE AS ALDOSE REDUCTASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2003-05-30 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 (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-20090163535-A1 Substituted Heteroarylalkanoic Acids GPR119, LIPA, LIPC HPGD 1443/4885ADORA2A 347/4885CSNK2A1 2691/4885
US-20030166668-A1 Substituted heteroarylalkanoic acids GPR119, LIPA, DDC HPGD 1349/4885ADORA2A 423/4885CSNK2A1 2984/4885

“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.