SCHEMBL2822885

SCHEMBL2822885

CCc1[nH]c(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.56
RAB9A P51151 11/20 0.56
ALDH1A1 P00352 6/20 0.54
HPGD P15428 6/20 0.54
KDM4E B2RXH2 5/20 0.54
HSD17B10 Q99714 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CA9 Q16790 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
TSHR P16473 1/20 0.52
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
CTDSP1 Q9GZU7 2/20 0.50
CASP3 P42574 1/20 0.50

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
SCHEMBL31277677 0.75 NPC1 (0.58) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL8513693 0.75 CA12 (0.81) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL29435302 0.73 KDM4E (0.74) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL12986344 0.73 KDM4E (0.74) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL11231059 0.73 KDM4E (0.74) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL12986843 0.72 KDM4E (0.81) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL29435304 0.72 KDM4E (0.81) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL31277630 0.72 NPC1 (0.68) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL30449676 0.71 CA12 (1.00) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL8516165 0.71 CA12 (1.00) NPC1RAB9AALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A NPC1 1573/4885RAB9A 2042/4885ALDH1A1 3596/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A NPC1 630/4885RAB9A 2487/4885ALDH1A1 1220/4885

“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.