SCHEMBL6154479

SCHEMBL6154479

COc1cc(Nc2ccccc2)ccc1C#N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.60
MAP2K1 Q02750 4/20 0.55
CSNK2A1 P68400 1/20 0.50
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
AR P10275 6/20 0.49
PGR P06401 1/20 0.49
PRKCQ Q04759 1/20 0.48
IMPDH1 P20839 2/20 0.47
IDH1 O75874 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAF1 P04049 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL25374578 0.90 ALDH1A1 (0.57) IMPDH2MAP2K1CSNK2A1PRKCQIMPDH1
SCHEMBL6157998 0.84 IMPDH2 (0.51) IMPDH2MAP2K1PSEN1PSEN2APH1B
SCHEMBL22801065 0.81 IMPDH2 (0.62) IMPDH2IMPDH1ALDH1A1EGFRERBB2
SCHEMBL30962445 0.80 IMPDH2 (0.54) IMPDH2ARPGRPRKCQIMPDH1
SCHEMBL18055564 0.80 IMPDH2 (0.54) IMPDH2ARPGRPRKCQIMPDH1
SCHEMBL8597483 0.79 MEN1 (0.62) ARALDH1A1
SCHEMBL425574 0.78 IMPDH2 (0.52) IMPDH2ARPGRIMPDH1IDH1
SCHEMBL6244338 0.78 IMPDH2 (0.65) IMPDH2MAP2K1PSEN1PSEN2APH1B
SCHEMBL12653297 0.78 MEN1 (0.53) IMPDH2ARALDH1A1
Hydrochloric Acid SCHEMBL551861 0.77 IMPDH2 (0.51) IMPDH2ARPGRIMPDH1IDH1

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-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 IMPDH2 2157/4885MAP2K1 430/4885CSNK2A1 1896/4885

“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.