SCHEMBL9892965

SCHEMBL9892965

CC(=O)Nc1nc(-c2ccc(O)cc2)ns1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.78
LMNA P02545 6/20 0.78
NPC1 O15118 5/20 0.78
RAB9A P51151 5/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
L3MBTL1 Q9Y468 1/20 0.75
ADORA3 P0DMS8 8/20 0.72
TP53 P04637 4/20 0.54
HTT P42858 1/20 0.54
POLB P06746 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 4/20 0.49
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL16254958 0.86 SMN1; SMN2 (1.00) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL4241185 0.84 ADORA3 (1.00) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9891819 0.84 SMN1; SMN2 (0.77) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL4243345 0.78 ADORA3 (1.00) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9852151 0.73 SMN1; SMN2 (0.75) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9852174 0.72 ADORA3 (0.77) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL16989376 0.72 GPR119 (0.66) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL24491070 0.72 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL17377358 0.71 ALOX5 (0.59) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL48461 0.71 PIK3CG (0.76) LMNAMEN1KMT2AHTTMAPT

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4659/4885LMNA 4696/4885NPC1 1904/4885

“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.