SCHEMBL2881750

SCHEMBL2881750

Cc1n[nH]c2cccc(Oc3ccc([N+](=O)[O-])cc3F)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.48
S1PR4 O95977 1/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
TRPA1 O75762 1/20 0.36
POLB P06746 2/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2880090 0.80 TRPA1 (0.39) MEN1KMT2ATRPA1
SCHEMBL2876576 0.77 HSPB1 (0.50) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL1583899 0.75 HSPB1 (0.63) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL27912387 0.74 HSPB1 (0.50) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL15820188 0.74 HSPB1 (0.80) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL740006 0.73 S1PR4 (0.62) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL22114132 0.72 HSPB1 (0.63) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL22069665 0.72 HSPB1 (0.56) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL22069603 0.71 HSPB1 (0.56) HSPB1S1PR4MAPTALDH1A1MAPK1
SCHEMBL2881386 0.70 HSPB1 (0.48) HSPB1S1PR4MAPTALDH1A1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER HEALTHCARE AG (DE) 2006-10-26 US disclosed
EP-1562935-B1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2006-09-06 EP disclosed
EP-1562935-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS Bayer HealthCare AG (DE) 2005-08-17 EP disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 WO disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 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-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors ROCK1, ROCK2, RHOA HSPB1 1579/4885S1PR4 1423/4885MAPT 2488/4885

“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.