SCHEMBL6154101

SCHEMBL6154101

NC(=O)c1cc(Cl)c(N[C@H]2CC[C@@H](N)CC2)cc1F

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.80
ROCK1 Q13464 1/20 0.49
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
HPGD P15428 1/20 0.40
MELK Q14680 6/20 0.40
HSP90AA1 P07900 1/20 0.39
CCNT1 O60563 1/20 0.38
MAPKAPK2 P49137 2/20 0.38
CHEK1 O14757 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KCNH2 Q12809 1/20 0.36
PTPN11 Q06124 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL1584269 1.00 ROCK2 (0.80) ROCK2ROCK1CA1CA2CA3
SCHEMBL1584266 1.00 ROCK2 (0.80) ROCK2ROCK1CA1CA2CA3
SCHEMBL1583647 0.89 ROCK2 (1.00) ROCK2ROCK1CA1CA2CA3
SCHEMBL1583649 0.89 ROCK2 (1.00) ROCK2ROCK1CA1CA2CA3
SCHEMBL6154956 0.85 ROCK2 (0.58) ROCK2CA1CA2CA3CA6
SCHEMBL6153888 0.84 ROCK2 (0.80) ROCK2ROCK1CA1CA2CA3
SCHEMBL6153887 0.84 ROCK2 (0.80) ROCK2ROCK1CA1CA2CA3
SCHEMBL6153755 0.83 ROCK2 (0.55) ROCK2ROCK1CA1CA2CA3
SCHEMBL6153753 0.83 ROCK2 (0.55) ROCK2ROCK1CA1CA2CA3
SCHEMBL6154993 0.81 ROCK2 (0.53) ROCK2ROCK1CA1CA2CA3

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 2/4885ROCK1 1/4885CA1 4477/4885

“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.