SCHEMBL4534621

SCHEMBL4534621

O=[N+]([O-])c1ccc(-c2ccncc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.49
GCGR P47871 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 6/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK13 O15264 1/20 0.43
RIPK2 O43353 1/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
ALOX5 P09917 1/20 0.43
THRB P10828 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
SCHEMBL2648687 0.81 ALDH1A1 (0.49) MAPK14GCGRMEN1KMT2ACYP3A4
SCHEMBL21803712 0.80 MEN1 (0.49) MAPK14GCGRMEN1KMT2ACYP3A4
SCHEMBL18448507 0.80 CHRNB2 (0.49) MAPK14GCGRMEN1KMT2ACYP3A4
SCHEMBL10273182 0.79 KMT2A (0.51) MEN1KMT2ACYP3A4CYP1A2CYP2C19
SCHEMBL18448270 0.78 MEN1 (0.50) MEN1KMT2ACYP3A4CYP1A2CYP2C19
SCHEMBL4328683 0.77 HSD17B10 (0.47) MEN1KMT2ACYP3A4MAPTLMNA
SCHEMBL31468784 0.77 CYP19A1 (0.40) MAPK14GCGRKMT2ACYP1A2MAPT
SCHEMBL527121 0.77 MEN1 (0.53) MAPK14GCGRMEN1KMT2ACYP3A4
SCHEMBL16472053 0.77 MEN1 (0.53) MAPK14GCGRMEN1KMT2ACYP3A4
SCHEMBL14809788 0.77 CYP19A1 (0.52) MAPK14GCGRMEN1KMT2ACYP3A4

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 5 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
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN 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 MAPK14 157/4885GCGR 1485/4885MEN1 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.