SCHEMBL9108540

SCHEMBL9108540

NC(=O)c1nc(-c2ccc(O)cc2)ns1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 1/20 0.46
ADORA3 P0DMS8 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP19A1 P11511 1/20 0.40
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.39
CHEK2 O96017 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL16238753 0.85 LMNA (0.48) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL3088205 0.84 ADORA3 (0.55) ADORA3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL9107820 0.81 ADORA3 (0.58) ADORA3SMN1; SMN2KMT2AMAPTTP53
SCHEMBL9108544 0.74 ADORA3 (0.66) HSD17B1HSD17B2ADORA3SMN1; SMN2MEN1
SCHEMBL17960860 0.73 ADORA3 (0.54) ADORA3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL9867816 0.72 HSD17B1 (0.46) HSD17B1HSD17B2ADORA3SMN1; SMN2MEN1
SCHEMBL8947213 0.72 LMNA (0.49) ADORA3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL3647705 0.72 SMN1; SMN2 (0.56) ADORA3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL19075481 0.72 RXFP1 (0.51) ADORA3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL1180545 0.72 HSD17B1 (0.72) HSD17B1HSD17B2ADORA3SMN1; SMN2MEN1

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-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
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 HSD17B1 3546/4885HSD17B2 3439/4885ADORA3 215/4885

“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.