SCHEMBL4535653

SCHEMBL4535653

NC(=O)[C@@H](Cc1csc2ccccc12)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.47
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
TACR1 P25103 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CYP2A6 P11509 2/20 0.40
AKT1 P31749 2/20 0.39
JUN P05412 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
CALCRL Q16602 1/20 0.39
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38

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
SCHEMBL4535650 0.80 AAK1 (0.54) AKT1ROCK2ROCK1DPP4DPP8
SCHEMBL4522394 0.80 MMP2 (0.46) MMP2MMP9MMP8TACR1CTSL
SCHEMBL28773020 0.79 DPP4 (0.43) AKT1ROCK2ROCK1DPP4DPP8
SCHEMBL27723694 0.79 P2RX7 (0.46) ROCK2ROCK1
SCHEMBL4525581 0.79 P2RX7 (0.46) ROCK2ROCK1
SCHEMBL4525347 0.79 DPP4 (0.43) AKT1ROCK2ROCK1DPP4DPP8
SCHEMBL27723733 0.79 HPGDS (0.55) MMP2MMP9
SCHEMBL4523819 0.79 HPGDS (0.55) MMP2MMP9
SCHEMBL4527537 0.78 ROCK2 (0.54) AKT1ROCK2ROCK1
SCHEMBL4512020 0.78 LMNA (0.43)

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 F10 3267/4885MMP2 1412/4885MMP9 923/4885

“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.