SCHEMBL6987335

SCHEMBL6987335

O=C(c1nc2ccccc2nc1O)N1CCCC1c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.48
FABP4 P15090 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
GRM5 P41594 5/20 0.45
HCRTR1 O43613 5/20 0.44
HCRTR2 O43614 5/20 0.44
SCD5 Q86SK9 1/20 0.44

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
SCHEMBL6990119 0.86 HSP90AA1 (0.48) ADAM17HSP90AA1HSP90AB1GRM5SCD5
SCHEMBL6989447 0.80 HSD11B1 (0.53) SCD5
SCHEMBL3693103 0.80 FABP4 (0.59) FABP4HCRTR1HCRTR2SCD5
SCHEMBL3693140 0.80 FABP4 (0.59) FABP4HCRTR1HCRTR2SCD5
SCHEMBL3693099 0.80 FABP4 (0.59) FABP4HCRTR1HCRTR2SCD5
SCHEMBL3700853 0.79 FABP4 (0.73) ADAM17FABP4HCRTR1HCRTR2
SCHEMBL3700859 0.79 FABP4 (0.73) ADAM17FABP4HCRTR1HCRTR2
SCHEMBL6993619 0.79 FABP4 (0.73) ADAM17FABP4HCRTR1HCRTR2
SCHEMBL3700856 0.79 FABP4 (0.73) ADAM17FABP4HCRTR1HCRTR2
SCHEMBL16250131 0.79 FABP4 (0.73) ADAM17FABP4HCRTR1HCRTR2

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 ADAM17 2560/4885FABP4 1/4885HSP90AA1 293/4885

“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.