SCHEMBL2823399

SCHEMBL2823399

CCCc1[nH]c(C(=O)O)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTPRB P23467 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDK2 Q15119 2/20 0.38
LMNA P02545 1/20 0.36
HCAR2 Q8TDS4 3/20 0.34
PDK4 Q16654 1/20 0.33
PIN1 Q13526 1/20 0.33
TOP2A P11388 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PDE5A O76074 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
TYMP P19971 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2823071 0.85 HSD17B10 (0.46) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
Hydrochloric Acid SCHEMBL2824409 0.84 HSD17B10 (0.44) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL2821356 0.80 KDM4E (0.49) KDM4ECYP2C9HSD17B10PDK2KDM5B
SCHEMBL4021901 0.73 KDM4E (0.34) KDM4ELMNAHCAR2ALDH1A1SMN1; SMN2
SCHEMBL3105280 0.72 PDK2 (0.44) CYP2C9HSD17B10PDK2PDK4TYMP
SCHEMBL2822546 0.71 KDM4E (0.50) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL13173051 0.70 TOP2A (0.40) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL2824407 0.70 TOP2A (0.40) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL2824127 0.70 KDM4E (0.53) KDM4ECYP3A4CYP2C9PTPRBHSD17B10
SCHEMBL13787637 0.69 TOP2A (0.47) KDM4ECYP3A4CYP2C9PTPRBHSD17B10

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 6 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
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-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
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 KDM4E 206/4885CYP3A4 345/4885CYP2C9 1042/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A KDM4E 211/4885CYP3A4 53/4885CYP2C9 176/4885

“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.