SCHEMBL4518043

SCHEMBL4518043

NC(=O)[C@@H](Cc1cccs1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP2C19 P33261 1/20 0.42
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGDS O60760 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.38
CTSC P53634 1/20 0.38
USP30 Q70CQ3 1/20 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
SCHEMBL4512020 1.00 LMNA (0.43) LMNACYP2C19RAB9AALDH1A1POLB
SCHEMBL4527537 0.81 ROCK2 (0.54) HPGDS
SCHEMBL4535653 0.78 F10 (0.47)
SCHEMBL4512018 0.78 AAK1 (0.60) LMNARAB9AALDH1A1POLBHTT
SCHEMBL4518039 0.78 AAK1 (0.60) LMNARAB9AALDH1A1POLBHTT
SCHEMBL27723723 0.78 AAK1 (0.60) LMNARAB9AALDH1A1POLBHTT
SCHEMBL4529362 0.77 LHCGR (0.42) HPGDSAAK1
SCHEMBL4525581 0.77 P2RX7 (0.46) CYP2C19AAK1
SCHEMBL4530266 0.77 GPR142 (0.45) AAK1
SCHEMBL28773020 0.77 DPP4 (0.43) ALDH1A1AAK1

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 LMNA 3083/4885CYP2C19 4176/4885RAB9A 174/4885

“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.