SCHEMBL4522563

SCHEMBL4522563

NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.58
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
FPR3 P25089 1/20 0.53
ELANE P08246 1/20 0.48
MMP2 P08253 2/20 0.48
MMP1 P03956 2/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
IDO1 P14902 1/20 0.46
EPHX1 P07099 2/20 0.45
FCER2 P06734 2/20 0.44
PPARG P37231 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4523483 1.00 FPR2 (0.58) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL27723701 1.00 FPR2 (0.58) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL1053745 0.89 ELANE (0.53) ELANEMMP1EPHX1FCER2PPARG
SCHEMBL2722699 0.89 ELANE (0.53) ELANEMMP1EPHX1FCER2PPARG
SCHEMBL28085748 0.85 MAPK1 (0.49) ELANEMMP1MMP9IDO1EPHX1
SCHEMBL27982936 0.83 FPR2 (0.80) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL14889672 0.83 FPR2 (0.80) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL15577712 0.82 ELANE (0.51) ELANEEPHX1
SCHEMBL31324782 0.81 FPR2 (0.61) FPR2MEN1NPC1RAB9AKMT2A
SCHEMBL28085619 0.81 ALDH1A1 (0.54) FPR2MEN1NPC1RAB9AKMT2A

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 FPR2 3158/4885MEN1 1542/4885NPC1 1693/4885

“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.