SCHEMBL2850496

SCHEMBL2850496

CCc1[nH]c(C(=O)N[C@@H]2CCN(C(=O)O)C[C@@H]2OCCCF)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.32
HTR4 Q13639 1/20 0.31
PTGES O14684 1/20 0.31
ABCC2 Q92887 1/20 0.31
ACKR3 P25106 1/20 0.31
SMYD3 Q9H7B4 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
SCHEMBL2850502 1.00 TOP2A (0.32) TOP2AHTR4PTGESABCC2ACKR3
SCHEMBL2851244 0.95 TOP2A (0.33) TOP2AHTR4ABCC2ACKR3
SCHEMBL2851247 0.95 TOP2A (0.33) TOP2AHTR4ABCC2ACKR3
SCHEMBL2849527 0.93 PTGES (0.36) TOP2AHTR4PTGESABCC2
SCHEMBL2849525 0.93 PTGES (0.36) TOP2AHTR4PTGESABCC2
SCHEMBL2846474 0.92 HTR4 (0.34) TOP2AHTR4PTGESABCC2
SCHEMBL2846475 0.92 HTR4 (0.34) TOP2AHTR4PTGESABCC2
SCHEMBL2848609 0.89 PARP1 (0.39)
SCHEMBL2848613 0.89 PARP1 (0.39)
SCHEMBL2847118 0.89 ACKR3 (0.36) TOP2AHTR4ABCC2ACKR3SMYD3

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 TOP2A 3/4885HTR4 1184/4885PTGES 1324/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TOP2A 3/4885HTR4 1697/4885PTGES 1313/4885

“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.