SCHEMBL6153331

SCHEMBL6153331

NC(=O)c1c(F)cc(NC2CCNCC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
PARP1 P09874 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
NOS2 P35228 1/20 0.38
PARP14 Q460N5 1/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
EPHX1 P07099 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
HTR6 P50406 2/20 0.36
DPP4 P27487 1/20 0.36
KDR P35968 1/20 0.36
MLNR O43193 2/20 0.36
PDK2 Q15119 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
SCHEMBL6156769 0.81 ROCK2 (0.47) ROCK2PARP1AURKARPS6KB1PTGS1
SCHEMBL6154865 0.75 ROCK2 (0.72) ROCK2PARP1CCNA2CDK2AURKA
SCHEMBL1704674 0.74 KDM1A (0.53) PTGS1PTGS2KDM1AMAOBHTR6
SCHEMBL4697426 0.73 NOS2 (0.50) NOS2KDM1AMAOBHTR6DPP4
SCHEMBL4144350 0.73 IRAK4 (0.45) CCNA2CDK2AURKARPS6KB1EPHX1
SCHEMBL6154506 0.72 ROCK2 (0.47) ROCK2AURKARPS6KB1CDK5CDK5R1
SCHEMBL4399289 0.72 CTSL (0.44) NOS2PARP14KDM1AMAOBHTR6
Hydrochloric Acid SCHEMBL6153321 0.72 IRAK4 (0.44) AURKARPS6KB1KDM1AHTR6PDK2
SCHEMBL2088083 0.72 HTR6 (0.43) NOS2PTGS1PTGS2KDM1AMAOB
SCHEMBL6155356 0.72 L3MBTL1 (0.58)

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 3 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
EP-1498419-A1 Process for preparing alkali metal salts of hydrophobic sulfonamides ENCYSIVE PHARMACEUTICALS INC. (US) 2005-01-19 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 2493/4885CCNA2 1348/4885

“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.