SCHEMBL6990119

SCHEMBL6990119

O=C(c1cc2ccccc2nc1O)N1CCCC1c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.48
HSP90AB1 P08238 4/20 0.48
ADAM17 P78536 5/20 0.46
GRM5 P41594 5/20 0.43
SCD5 Q86SK9 3/20 0.41
SCD O00767 1/20 0.41

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
SCHEMBL6987335 0.86 ADAM17 (0.48) HSP90AA1HSP90AB1ADAM17GRM5SCD5
SCHEMBL6987252 0.81 HSD11B1 (0.50) SCD5
SCHEMBL6987244 0.81 HCRTR1 (0.50) SCD5
SCHEMBL2477683 0.77 ALDH1A1 (0.49) HSP90AA1HSP90AB1
SCHEMBL6987311 0.74 FABP4 (0.45) HSP90AA1HSP90AB1SCD5
SCHEMBL6990139 0.73 SCD5 (0.53) SCD5
SCHEMBL6990102 0.72 PROKR1 (0.50)
SCHEMBL6989431 0.72 HCRTR2 (0.44) GRM5SCD5
SCHEMBL31318774 0.70 ADAM17 (0.53) ADAM17GRM5
SCHEMBL6987290 0.70 HCRTR1 (0.48) SCD5

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 HSP90AA1 293/4885HSP90AB1 283/4885ADAM17 2560/4885

“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.