SCHEMBL2876994

SCHEMBL2876994

O=[N+]([O-])c1ccc(Oc2cccc3occc23)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 7/20 0.52
TRPA1 O75762 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.38
S1PR4 O95977 1/20 0.38
KCNA3 P22001 2/20 0.37
KCNA5 P22460 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL3484794 0.85 KMT2A (0.54) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL15820188 0.78 HSPB1 (0.80) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL2881533 0.78 TRPA1 (0.49) HSPB1TRPA1MAPTALDH1A1MEN1
SCHEMBL2881386 0.74 HSPB1 (0.48) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL22069631 0.74 HSPB1 (0.57) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL22114132 0.73 HSPB1 (0.63) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL1583899 0.73 HSPB1 (0.63) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL2876576 0.73 HSPB1 (0.50) HSPB1TRPA1MAPTALDH1A1MAPK1
SCHEMBL22069665 0.73 HSPB1 (0.56) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL16376899 0.72 HSPB1 (0.52) HSPB1TRPA1MAPTALDH1A1MAPK1

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-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

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 1579/4885TRPA1 4704/4885MAPT 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.