SCHEMBL4523819

SCHEMBL4523819

NC(=O)[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.55
ECE1 P42892 3/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
SCN9A Q15858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MPO P05164 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL27723733 1.00 HPGDS (0.55) HPGDSECE1MMP2MMP9CDK4
SCHEMBL12845519 0.91 ECE1 (0.53) HPGDSECE1ITGB2ICAM1ITGAL
SCHEMBL8264791 0.82 ITGB2 (0.58) MMP2MMP9ITGB2ICAM1ITGAL
SCHEMBL4523817 0.80 RUVBL1 (0.67) CDK2KDM4EMEN1LMNAMPO
SCHEMBL12782374 0.80 ECE1 (0.48) HPGDSECE1ITGB2ICAM1ITGAL
SCHEMBL4535653 0.79 F10 (0.47) MMP2MMP9
SCHEMBL8264770 0.79 TDP1 (0.59) MEN1MAPTKMT2A
SCHEMBL21082965 0.79 FPR2 (0.65) ECE1MMP2MMP9ITGB2ICAM1
SCHEMBL28773020 0.78 DPP4 (0.43)
SCHEMBL4525581 0.78 P2RX7 (0.46) HIF1A

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 4 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
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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 HPGDS 884/4885ECE1 706/4885MMP2 1412/4885

“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.