SCHEMBL6989618

SCHEMBL6989618

O=C(c1nc2ccccc2nc1O)N1CCCC1Cc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.52
HCRTR1 O43613 7/20 0.44
HCRTR2 O43614 7/20 0.44
SCD5 Q86SK9 1/20 0.39
MET P08581 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A2 O94788 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
ALDH1A3 P47895 1/20 0.37
CYP3A4 P08684 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6987416 0.87 FABP4 (0.43) FABP4HCRTR1HCRTR2SCD5MET
SCHEMBL6988824 0.86 FABP4 (0.45) FABP4HCRTR1HCRTR2SCD5ATM
SCHEMBL6987311 0.85 FABP4 (0.45) FABP4HCRTR1HCRTR2SCD5MET
SCHEMBL6988203 0.84 FABP4 (0.51) FABP4HCRTR1HCRTR2METLMNA
SCHEMBL6988159 0.84 HCRTR1 (0.51) FABP4HCRTR1HCRTR2
SCHEMBL6989539 0.84 SCD5 (0.55) FABP4HCRTR1HCRTR2SCD5CYP3A4
SCHEMBL3700092 0.83 FABP4 (0.67) FABP4HCRTR1HCRTR2SCD5CYP3A4
SCHEMBL3700088 0.83 FABP4 (0.67) FABP4HCRTR1HCRTR2SCD5CYP3A4
SCHEMBL3693099 0.82 FABP4 (0.59) FABP4HCRTR1HCRTR2SCD5CYP3A4
SCHEMBL3693140 0.82 FABP4 (0.59) FABP4HCRTR1HCRTR2SCD5CYP3A4

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 1/4885HCRTR1 4346/4885HCRTR2 3592/4885

“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.