SCHEMBL4490156

SCHEMBL4490156

O=[N+]([O-])ONc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
FBP1 P09467 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 2/20 0.42
KIF11 P52732 5/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 2/20 0.39
MMP2 P08253 1/20 0.39
TGM2 P21980 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
CA9 Q16790 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL11564188 0.75 EPHX2 (0.48) EPHX2FBP1CA1CA2KIF11
SCHEMBL3649476 0.75 ALDH1A1 (0.55) CA1CA2MAPK1CA12MMP2
SCHEMBL9217929 0.72 EPHX2 (0.46) EPHX2FBP1CA1CA2KIF11
SCHEMBL11406453 0.71 KIF11 (0.48) EPHX2CA1CA2KIF11CA12
Nitric Acid SCHEMBL20984887 0.70 EPHX2 (0.48) EPHX2FBP1CA1CA2KIF11
SCHEMBL16230308 0.70 KIF11 (0.71) CA1CA2KIF11MAPK1MAPT
SCHEMBL29048919 0.70 KIF11 (0.58) CA1CA2KIF11MAPTCA9
SCHEMBL11414333 0.70 KIF11 (0.47) EPHX2CA1CA2KIF11CA12
SCHEMBL11416666 0.70 KIF11 (0.52) EPHX2CA1CA2KIF11CA12
SCHEMBL27859433 0.69 KIF11 (0.47) EPHX2CA1CA2KIF11CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
EP-1551807-A4 IMPROVED REAGENTS FOR N-AMINATION SCIOS INC (US) 2006-09-13 EP disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 EP disclosed
EP-1551807-A1 IMPROVED REAGENTS FOR N-AMINATION SCIOS INC. (US) 2005-07-13 EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
US-20050065344-A1 Phenyl hydroxylamines containing one nitro and at least one trifluoromethyl substituent on the phenyl moiety; amination of indole SCIOS, INC. 2005-03-24 US disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 US disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 WO disclosed
WO-2004007462-A1 IMPROVED REAGENTS FOR N-AMINATION SCIOS INC. (US) 2004-01-22 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 (3 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-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 EPHX2 4173/4885FBP1 3542/4885CA1 4167/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 EPHX2 4128/4885FBP1 3247/4885CA1 3942/4885
US-20050065344-A1 Phenyl hydroxylamines containing one nitro and at least one trifluoromethyl substituent on the phenyl moiety; amination of indole NAT1, PNMT, HTR3A EPHX2 3791/4885FBP1 3519/4885CA1 3212/4885

“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.