SCHEMBL9892908

SCHEMBL9892908

C=C(C)c1cc(NC(=O)CC)no1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
GAPDH P04406 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ADORA3 P0DMS8 5/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA1 P30542 4/20 0.38
ADORA2A P29274 3/20 0.38
ADORA2B P29275 3/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
NR4A1 P22736 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL13823442 0.86 ALDH1A1 (0.62) EGFRALDH1A1GAAGAPDHMAPT
SCHEMBL4110225 0.76 ALDH1A1 (0.72) EGFRALDH1A1GAAGAPDHMAPT
SCHEMBL13062675 0.73 CNR2 (0.40) EGFRRAB9ANPC1
SCHEMBL4102589 0.72 EGFR (0.74) EGFRMAPTKMT2AMEN1TDP1
SCHEMBL13062815 0.71 CNR2 (0.38) EGFRALDH1A1GAAPOLB
SCHEMBL26789821 0.71 EGFR (0.55) EGFRALDH1A1GAAMAPTKMT2A
SCHEMBL14724235 0.70 EGFR (0.47) EGFRALDH1A1GAAGAPDHMAPT
SCHEMBL26789829 0.70 RAB9A (0.56) EGFRALDH1A1GAARAB9ANPC1
SCHEMBL9893113 0.69 EGFR (0.56) EGFRALDH1A1GAAMAPTKMT2A
SCHEMBL21523817 0.68 HCAR2 (0.47) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 500/4885ALDH1A1 1724/4885GAA 3944/4885

“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.