SCHEMBL2822253

SCHEMBL2822253

CCc1[nH]c(C(=O)O)nc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
LMNA P02545 2/20 0.35
KDM4E B2RXH2 3/20 0.33
PIN1 Q13526 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTPRB P23467 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DAO P14920 1/20 0.31
NOTUM Q6P988 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL2825421 0.77 NOTUM (0.41) HCAR2LMNAKDM4EPIN1CYP3A4
SCHEMBL2822746 0.74 HCAR2 (0.43) HCAR2LMNAKDM4EPIN1CYP3A4
SCHEMBL2823071 0.73 HSD17B10 (0.46) HCAR2LMNAKDM4EPIN1CYP3A4
SCHEMBL2822836 0.73 LMNA (0.38) HCAR2LMNAKDM4EPIN1CYP3A4
Hydrochloric Acid SCHEMBL2824409 0.71 HSD17B10 (0.44) HCAR2LMNAKDM4EPIN1CYP3A4
SCHEMBL2824744 0.70 LMNA (0.40) HCAR2LMNAKDM4EPIN1CYP3A4
SCHEMBL3451427 0.69 HCAR2 (0.49) HCAR2LMNAKDM4EKDM5B
SCHEMBL5310539 0.68 LMNA (0.34) HCAR2LMNAKDM4EPIN1CYP3A4
SCHEMBL2823399 0.67 KDM4E (0.43) HCAR2LMNAKDM4EPIN1CYP3A4
SCHEMBL9726384 0.66 KDM5B (0.36) HCAR2KDM4ENPSR1KDM5B

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 8 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
CN-101959882-B Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2013-09-11 CN disclosed
CN-101959882-A Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2011-01-26 CN 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 HCAR2 4457/4885LMNA 948/4885KDM4E 206/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HCAR2 3891/4885LMNA 1119/4885KDM4E 211/4885

“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.