SCHEMBL10171121

SCHEMBL10171121

CC(C)C(=O)Nc1nnc(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.39
BRAF P15056 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TYR P14679 1/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
ADORA1 P30542 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PAX3 P23760 1/20 0.35
FOXO1 Q12778 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
GPR35 Q9HC97 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL10171117 0.85 ALDH1A1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL23116897 0.81 PARP1 (0.39) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL10171159 0.81 ALDH1A1 (0.47) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL12154567 0.80 PTGES (0.43) ALDH1A1HPGDADORA3
SCHEMBL12155313 0.79 MAPT (0.44) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL12154582 0.79 TYR (0.42) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL30404725 0.76 MIF (0.41) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL13526112 0.71 MAPT (0.52) NPC1RAB9APOLBBRAFALDH1A1
SCHEMBL12827261 0.70 PDE2A (0.36) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL12826873 0.70 ALDH1A1 (0.37) RAB9AALDH1A1SMN1; SMN2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349871-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
US-8048899-B2 Compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 NPC1 1324/4885RAB9A 2352/4885POLB 4331/4885
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 NPC1 1254/4885RAB9A 2553/4885POLB 4342/4885

“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.