SCHEMBL739264

SCHEMBL739264

CC(C)(C)[C@@H](C#N)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSS P25774 3/20 0.42
CTSK P43235 1/20 0.42
RIPK1 Q13546 2/20 0.42
HTT P42858 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL27171240 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL347257 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL22370929 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL13859223 0.76 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL531663 0.75 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL14908817 0.74 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL14346276 0.74 KMT2A (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL737633 0.73 MEN1 (0.49) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL22472918 0.72 KMT2A (0.51) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL1701279 0.72 KMT2A (0.76) MEN1KMT2AALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US disclosed
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS ANDO KAZUO 2009-07-16 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 (2 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-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 MEN1 3613/4885KMT2A 4607/4885ALDH1A1 2949/4885
US-20110028447-A1 INDAZOLE DERIVATIVES CNR1, CNR2, GPR119 MEN1 1806/4885KMT2A 3459/4885ALDH1A1 1172/4885

“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.