SCHEMBL6156769

SCHEMBL6156769

NC(=O)c1ccc(NC2CCNCC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
DGAT1 O75907 1/20 0.43
P2RX7 Q99572 1/20 0.42
HTR6 P50406 4/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP15 Q460N3 1/20 0.41
PDK2 Q15119 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
SYK P43405 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL6153421 0.84 AURKA (0.45) AURKARPS6KB1SIRT2P2RX7HTR6
SCHEMBL6154234 0.84 ROCK2 (0.51) ROCK2PTGS1PTGS2DGAT1PARP10
SCHEMBL6153721 0.84 ROCK2 (0.66) ROCK2PTGS1PTGS2DGAT1PARP10
SCHEMBL6154056 0.84 ROCK2 (0.66) ROCK2PTGS1PTGS2DGAT1PARP10
SCHEMBL6153723 0.84 ROCK2 (0.66) ROCK2PTGS1PTGS2DGAT1PARP10
SCHEMBL6154237 0.84 ROCK2 (0.51) ROCK2PTGS1PTGS2DGAT1PARP10
SCHEMBL6153710 0.83 RPS6KB1 (0.44) AURKARPS6KB1SIRT2P2RX7HTR6
SCHEMBL6155049 0.83 FLT3 (0.44) AURKARPS6KB1SIRT2P2RX7HTR6
SCHEMBL6153331 0.81 ROCK2 (0.40) ROCK2AURKARPS6KB1PTGS1PTGS2
SCHEMBL6154534 0.81 ACKR3 (0.48) ROCK2RPS6KB1PTGS1PTGS2JAK2

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 2/4885AURKA 2136/4885RPS6KB1 1050/4885

“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.