SCHEMBL2995359

SCHEMBL2995359

N#Cc1ccc(Oc2cnc(Cl)c3ccccc23)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
SLC22A12 Q96S37 5/20 0.41
CYP11B1 P15538 2/20 0.38
CYP19A1 P11511 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TRPA1 O75762 1/20 0.35
SCN9A Q15858 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL2984258 0.85 AR (0.42) ARSLC22A12CYP11B1TRPA1ALOX5AP
SCHEMBL14026625 0.80 MEN1 (0.41) TRPA1SCN9ASLC6A2SLC6A4KCNH2
SCHEMBL2980149 0.77 ALOX5AP (0.43) ARALOX5APFEN1ALDH1A1NPSR1
SCHEMBL753498 0.74 SLC6A4 (0.50) ARSLC22A12CYP11B1CYP19A1SLC6A2
SCHEMBL29254939 0.74 SLC22A12 (0.42) ARSLC22A12CYP11B1CYP19A1SCN9A
SCHEMBL2995303 0.73 CA1 (0.39) ARSLC22A12CYP11B1CA1CA2
SCHEMBL9710658 0.72 AR (0.42) ARSLC22A12CYP11B1TRPA1CYP11B2
SCHEMBL29254954 0.72 S1PR3 (0.42) ARSLC22A12CYP11B1CYP19A1SLC6A2
SCHEMBL31086329 0.72 S1PR3 (0.42) ARSLC22A12CYP11B1CYP19A1SLC6A2
SCHEMBL30689339 0.71 ALOX5AP (0.41) ARSLC22A12ALOX5APFEN1ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 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 (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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 AR 256/4885SLC22A12 828/4885CYP11B1 21/4885

“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.