SCHEMBL6153960

SCHEMBL6153960

NC(=O)c1cc(Cl)c(NC2CCN(CC(F)(F)F)CC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.50
PARP1 P09874 2/20 0.43
PARP2 Q9UGN5 2/20 0.43
CNR1 P21554 2/20 0.41
KDM1A O60341 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HPGDS O60760 5/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SCN9A Q15858 2/20 0.36
KAT6A Q92794 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2B Q13224 1/20 0.36
IDH1 O75874 1/20 0.35

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
SCHEMBL6155092 0.89 ROCK2 (0.48) ROCK2CA1CA2CA3CA6
SCHEMBL6153755 0.82 ROCK2 (0.55) ROCK2CA1CA2CA3CA6
SCHEMBL6153753 0.82 ROCK2 (0.55) ROCK2CA1CA2CA3CA6
SCHEMBL6154082 0.80 ROCK2 (0.53) ROCK2CA1CA2CA3CA6
SCHEMBL6154993 0.80 ROCK2 (0.53) ROCK2CA1CA2CA3CA6
SCHEMBL1584266 0.78 ROCK2 (0.80) ROCK2CA1CA2CA3CA6
SCHEMBL6154101 0.78 ROCK2 (0.80) ROCK2CA1CA2CA3CA6
SCHEMBL1584269 0.78 ROCK2 (0.80) ROCK2CA1CA2CA3CA6
SCHEMBL6153508 0.78 ALDH1A1 (0.49) ROCK2PARP1CNR1
SCHEMBL6154956 0.77 ROCK2 (0.58) ROCK2PARP2CA1CA2CA3

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 ROCK2 2/4885PARP1 2493/4885PARP2 3187/4885

“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.