SCHEMBL17268693

SCHEMBL17268693

COc1cc(CO)ccc1-c1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 4/20 0.39
FOXO1 Q12778 5/20 0.39
NPBWR1 P48145 3/20 0.35
CRHR1 P34998 2/20 0.35
AMY1A P0DUB6 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL17268669 0.88 CBFB (0.43) CBFBFOXO1AMY1A
SCHEMBL17255264 0.87 ALPL (0.43) FOXO1NPBWR1AMY1AKDM4E
SCHEMBL17268727 0.87 CBFB (0.41) CBFBFOXO1AMY1A
SCHEMBL17268697 0.87 NPBWR1 (0.38) CBFBFOXO1NPBWR1
SCHEMBL17268680 0.87 CBFB (0.47) CBFBFOXO1AMY1AKDM4E
SCHEMBL17268674 0.86 FOXO1 (0.44) CBFBFOXO1AMY1AKDM4E
SCHEMBL17268714 0.85 CBFB (0.39) CBFBFOXO1AMY1A
SCHEMBL17268660 0.84 FOXO1 (0.53) CBFBFOXO1AMY1A
SCHEMBL17268687 0.83 FOXO1 (0.45) CBFBFOXO1AMY1AKDM4E
SCHEMBL17268691 0.82 NPBWR1 (0.45) CBFBNPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951049-B2 Pyrazole linked benzimidazole conjugates and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-24 US disclosed
US-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-11-19 US 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 (1 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-20150329527-A1 PYRAZOLE LINKED BENZIMIDAZOLE CONJUGATES AND A PROCESS FOR PREPARATION THEREOF BRDT, MCL1, MGST3 CBFB 3736/4885FOXO1 1540/4885NPBWR1 3574/4885

“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.