SCHEMBL6989129

SCHEMBL6989129

COc1cccc(CC2CCCN(C(=O)c3nc4ccccc4nc3O)C2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.60
ALDH1A1 P00352 8/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CCR3 P51677 1/20 0.49
MAPT P10636 1/20 0.48
PKM P14618 4/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL6988441 0.87 EED (0.43) EEDALDH1A1POLB
SCHEMBL6989102 0.86 HSD11B1 (0.50) ALDH1A1
SCHEMBL6989130 0.85 RIPK1 (0.45) EEDALDH1A1CCR3
SCHEMBL6989185 0.83 TACR3 (0.48) ALDH1A1
SCHEMBL6985734 0.83 HCRTR1 (0.56)
SCHEMBL6986268 0.80 HCRTR1 (0.47) CCR3
SCHEMBL6989435 0.79 PROKR1 (0.52) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL6989176 0.78 EPHX2 (0.48) EEDALDH1A1MAPTPOLB
SCHEMBL8637987 0.77 EED (0.68) EEDALDH1A1GAANPC1RAB9A
SCHEMBL8636411 0.76 EED (0.67) EEDALDH1A1CCR3MAPTPKM

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 EED 4265/4885ALDH1A1 1295/4885GAA 1472/4885

“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.