SCHEMBL4520975

SCHEMBL4520975

O=C(O)Nc1ccccc1CC(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.53
ROCK1 Q13464 6/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
WNT3A P56704 3/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
STAT3 P40763 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 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
SCHEMBL15741788 0.81 KCNJ5 (0.65) ROCK2ROCK1SMN1; SMN2RAB9ANPC1
SCHEMBL19827071 0.77 MEN1 (0.73) ROCK2ROCK1MEN1KMT2AWNT3A
SCHEMBL4525615 0.77 WNT3A (0.44) ROCK2ROCK1MEN1KMT2AWNT3A
SCHEMBL4516268 0.76 ROCK2 (0.57) ROCK2ROCK1MEN1KMT2ASMN1; SMN2
SCHEMBL4525608 0.75 ROCK2 (0.46) ROCK2ROCK1MEN1KMT2AWNT3A
SCHEMBL8331684 0.75 MEN1 (0.79) MEN1KMT2AWNT3ASMN1; SMN2POLB
SCHEMBL4631344 0.74 NOTUM (0.67) ROCK2ROCK1MEN1KMT2AALDH1A1
SCHEMBL4630248 0.73 PORCN (0.46) ROCK2ROCK1MEN1KMT2ASMN1; SMN2
SCHEMBL4518077 0.73 PORCN (0.64) ROCK2ROCK1MEN1KMT2ASMN1; SMN2
SCHEMBL14605463 0.73 ROCK2 (0.67) ROCK2ROCK1ALDH1A1HTTLMNA

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885MEN1 1542/4885

“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.