SCHEMBL6989459

SCHEMBL6989459

CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nc2ccccc2nc1O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MTOR P42345 1/20 0.48
MLYCD O95822 1/20 0.45
TACR1 P25103 6/20 0.45
NPC1 O15118 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
SCHEMBL6990995 0.86 KMT2A (0.54) MEN1KMT2A
SCHEMBL6991167 0.76 PIN1 (0.52) MEN1KMT2ANPC1
SCHEMBL6989665 0.76 NPC1 (0.40) NPC1
SCHEMBL5645193 0.73 MEN1 (0.78) MEN1KMT2AMTORMLYCDTACR1
SCHEMBL6987408 0.73 MLYCD (0.51) MLYCD
SCHEMBL6989399 0.72 ALDH1A1 (0.40) KMT2A
SCHEMBL6885455 0.70 MEN1 (0.42) MEN1KMT2AMTORMLYCDTACR1
SCHEMBL5643054 0.70 KMT2A (0.68) MEN1KMT2AMTORMLYCD
SCHEMBL7390057 0.70 MTOR (0.55) MEN1KMT2AMTORMLYCDTACR1
SCHEMBL5641801 0.69 MEN1 (0.67) MEN1KMT2AMTORMLYCDNPC1

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 MEN1 4880/4885KMT2A 4481/4885MTOR 2017/4885

“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.