SCHEMBL10171216

SCHEMBL10171216

COc1ccccc1-c1nnc(NC(=O)C(C)C)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 6/20 0.57
NPC1 O15118 5/20 0.57
HSD17B10 Q99714 4/20 0.57
TSHR P16473 1/20 0.57
ALOX15 P16050 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
HPGD P15428 4/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
AHR P35869 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
STAT3 P40763 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL645245 0.85 FGFR1 (0.60) KDM4EALDH1A1NPC1HSD17B10TSHR
SCHEMBL10171117 0.76 ALDH1A1 (0.54) KDM4EALDH1A1NPC1HSD17B10HSP90AA1
SCHEMBL10171244 0.76 ALDH1A1 (0.47) KDM4EALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL12453606 0.74 POLB (0.53) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL10171121 0.71 NPC1 (0.39) KDM4EALDH1A1NPC1HSD17B10TSHR
SCHEMBL12154582 0.71 TYR (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24195628 0.70 ALDH1A1 (0.49) KDM4EALDH1A1NPC1HSD17B10HPGD
SCHEMBL10217322 0.70 CNR2 (0.51) KDM4EALDH1A1NPC1HSD17B10ALOX15
SCHEMBL24932244 0.70 SMN1; SMN2 (0.56) KDM4EALDH1A1NPC1HSD17B10TSHR
SCHEMBL13596172 0.70 POLB (0.62) ALDH1A1NPC1TSHRRAB9ATP53

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-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
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-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KDM4E 3300/4885ALDH1A1 2112/4885NPC1 1324/4885
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KDM4E 3647/4885ALDH1A1 1813/4885NPC1 1254/4885
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KDM4E 3647/4885ALDH1A1 1813/4885NPC1 1254/4885

“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.