SCHEMBL5439719

SCHEMBL5439719

COC(=O)c1cc(C2CCN(C(=O)O)CC2)sc1NC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 3/20 0.42
KDM4E B2RXH2 4/20 0.38
RXFP1 Q9HBX9 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRK1 P41145 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM5A P29375 1/20 0.33
MAPT P10636 1/20 0.33
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33

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
SCHEMBL27693406 0.82 REV1 (0.35) REV1KDM4ERXFP1LMNANPC1
SCHEMBL5429190 0.80 ALDH1A1 (0.46) REV1KDM4ERXFP1LMNANPC1
SCHEMBL5732124 0.79 EED (0.35) REV1KDM4ERXFP1LMNANPC1
SCHEMBL5429747 0.73 ALDH1A1 (0.35) REV1KDM4ELMNANPC1RAB9A
SCHEMBL23412814 0.70 KDM4E (0.50) REV1KDM4ERXFP1LMNANPSR1
SCHEMBL2419233 0.69 RBP4 (0.41) REV1KDM4ELMNACHRM2CHRM4
SCHEMBL2418493 0.69 ALDH1A1 (0.42) REV1KDM4ELMNANPC1RAB9A
SCHEMBL750673 0.68 RBP4 (0.55) KDM4ELMNANPSR1ALDH1A1MAPT
SCHEMBL17398128 0.68 QDPR (0.45) KDM4ELMNANPC1RAB9AALDH1A1
SCHEMBL3160325 0.67 ALDH1A1 (0.48) LMNANPC1NPSR1ALDH1A1PDE4B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 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-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP REV1 964/4885KDM4E 2012/4885RXFP1 4860/4885

“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.