SCHEMBL2822676

SCHEMBL2822676

CCc1[nH]c(C(=O)Nc2ccc(-c3nc(C)c(C(=O)O)s3)cc2)nc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 4/20 0.53
POLB P06746 3/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 4/20 0.50
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 2/20 0.44
TARBP2 Q15633 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
PPARA Q07869 1/20 0.42

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
SCHEMBL2821759 0.89 CDC7 (0.52) XDHSMN1; SMN2RAB9APOLBKDM4E
SCHEMBL2823778 0.82 PTPN1 (0.46) XDHSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2822196 0.77 CDC7 (0.52) SMN1; SMN2RAB9AKDM4ENPC1MAPT
SCHEMBL8866993 0.76 XDH (1.00) XDHSMN1; SMN2RAB9APOLBKDM4E
SCHEMBL2825250 0.76 GAA (0.49) SMN1; SMN2RAB9APOLBKDM4EMAPT
SCHEMBL2826651 0.76 DGAT1 (0.42) SMN1; SMN2RAB9APOLBKDM4ENPC1
SCHEMBL2826182 0.76 ADRB2 (0.44) MAPTMEN1KMT2AALDH1A1TOP2A
SCHEMBL2827008 0.75 TOP2A (0.44) SMN1; SMN2RAB9AKDM4ENPC1MAPT
SCHEMBL13058799 0.75 PPARA (0.36) XDHSMN1; SMN2RAB9APOLBKDM4E
SCHEMBL2826834 0.73 TOP2A (0.46) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1

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 14 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
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 XDH 1713/4885SMN1; SMN2 4001/4885RAB9A 2042/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A XDH 927/4885SMN1; SMN2 3604/4885RAB9A 2487/4885

“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.