SCHEMBL6987311

SCHEMBL6987311

O=C(c1cc2ccccc2nc1O)N1CCCC1Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.45
HCRTR2 O43614 11/20 0.41
HCRTR1 O43613 9/20 0.41
CYP3A4 P08684 4/20 0.41
TP53 P04637 1/20 0.40
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 3/20 0.40
SCD5 Q86SK9 1/20 0.39
MET P08581 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL6989618 0.85 FABP4 (0.52) FABP4HCRTR2HCRTR1CYP3A4TP53
SCHEMBL6990139 0.85 SCD5 (0.53) FABP4HCRTR2HCRTR1CYP3A4SCD5
SCHEMBL6987244 0.84 HCRTR1 (0.50) FABP4HCRTR2HCRTR1CYP3A4SCD5
SCHEMBL6989431 0.82 HCRTR2 (0.44) HCRTR2HCRTR1CYP3A4SCD5HRH3
SCHEMBL6987290 0.82 HCRTR1 (0.48) FABP4HCRTR2HCRTR1CYP3A4SCD5
SCHEMBL2477683 0.76 ALDH1A1 (0.49) HSP90AA1HSP90AB1
SCHEMBL21067737 0.74 ALDH1A1 (0.41) FABP4HCRTR2HCRTR1CYP3A4TP53
SCHEMBL6990119 0.74 HSP90AA1 (0.48) HSP90AA1HSP90AB1SCD5
SCHEMBL6988824 0.74 FABP4 (0.45) FABP4HCRTR2HCRTR1CYP3A4SCD5
SCHEMBL6987416 0.72 FABP4 (0.43) FABP4HCRTR2HCRTR1SCD5MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 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 (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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 FABP4 1/4885HCRTR2 3592/4885HCRTR1 4346/4885

“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.