SCHEMBL9892890

SCHEMBL9892890

CCC(=O)Nc1nsc(-c2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.60
GAA P10253 3/20 0.60
KDM4E B2RXH2 3/20 0.59
TP53 P04637 3/20 0.59
HSD17B10 Q99714 3/20 0.59
ADORA3 P0DMS8 2/20 0.58
ADORA2A P29274 2/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
ALDH1A1 P00352 6/20 0.58
MAPT P10636 5/20 0.58
HPGD P15428 4/20 0.58
MAPK1 P28482 2/20 0.58
PKM P14618 1/20 0.58
RECQL P46063 1/20 0.55
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL13842699 0.83 KDM4E (0.63) HTTGAAKDM4ETP53HSD17B10
SCHEMBL7656935 0.80 KDM4E (0.63) HTTGAAKDM4ETP53HSD17B10
SCHEMBL9891512 0.79 TP53 (0.59) HTTGAAKDM4ETP53HSD17B10
SCHEMBL20458204 0.77 KDM4E (0.56) HTTGAAKDM4ETP53HSD17B10
SCHEMBL17451134 0.75 ADORA1 (0.69) HTTKDM4EADORA3ADORA2AADORA2B
SCHEMBL3266075 0.74 TP53 (0.56) HTTGAAKDM4ETP53HSD17B10
SCHEMBL6505603 0.74 ADORA1 (1.00) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL9892914 0.73 SMN1; SMN2 (1.00) HTTTP53HSD17B10ADORA3SMN1; SMN2
SCHEMBL14962997 0.73 KDM4E (0.76) HTTKDM4ETP53SMN1; SMN2RAB9A
SCHEMBL6434931 0.72 KDM4E (0.64) HTTGAAKDM4ETP53HSD17B10

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
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
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 HTT 4149/4885GAA 3944/4885KDM4E 1578/4885

“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.