SCHEMBL6937488

SCHEMBL6937488

O=C1CC=Nc2cc(F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MAOB P27338 9/20 0.34
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
USP47 Q96K76 1/20 0.32
ACHE P22303 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
SRD5A1 P18405 1/20 0.31

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
SCHEMBL19160429 0.85 CA1 (0.35) CA1CA2CA7CA9MAOB
SCHEMBL5636813 0.78 S100A4 (0.41) USP8USP7USP47ACHEPARP1
SCHEMBL8534521 0.78 CASP1 (0.43) CA9
SCHEMBL2627985 0.74 ENPP2 (0.33) CA1CA2
SCHEMBL22715669 0.73 MAPKAPK2 (0.39) MAOB
SCHEMBL2993068 0.73 PTPRC (0.47) CA1CA2CA7CA9ACHE
SCHEMBL31116 0.72 MEN1 (0.35) MAOB
SCHEMBL8671968 0.72 HTR5A (0.34) ACHEPARP1PARP10
SCHEMBL28580991 0.71 HTR2A (0.38) CA1CA2CA7CA9USP8
Fluoride SCHEMBL4741377 0.71 MEN1 (0.33) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210114993-A1 COMPOUNDS FOR TREATING ILK-MEDIATED DISEASES THE CLEVELAND CLINIC FOUNDATION 2021-04-22 US disclosed
EP-0990647-B1 PROCESS FOR PRODUCING QUINOLONE DERIVATIVES KIRIN BREWERY (JP) 2003-07-02 EP disclosed
US-6187926-B1 REACTING ORTHO-AMINOACETOPHENONE DERIVATIVE WITH FORMIC ACID ESTER IN APROTIC SOLVENT IN PRESENCE OF BASE, ADDING PROTIC SOLVENT TO REACTION MIXTURE KIRIN BEER KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
EP-0990647-A1 PROCESS FOR PRODUCING QUINOLONE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2000-04-05 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 (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-20210114993-A1 COMPOUNDS FOR TREATING ILK-MEDIATED DISEASES ILK, ITGB1, ITGA2B CA1 3520/4885CA2 3204/4885CA7 2767/4885

“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.