SCHEMBL4490148

SCHEMBL4490148

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.61
MAPT P10636 8/20 0.59
ALDH1A1 P00352 1/20 0.59
KCNMA1 Q12791 1/20 0.58
PKM P14618 2/20 0.56
KMT2A Q03164 2/20 0.56
AKR1B1 P15121 1/20 0.56
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
MEN1 O00255 1/20 0.56
EPAS1 Q99814 1/20 0.56
GAA P10253 1/20 0.56
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.52
STAT3 P40763 1/20 0.52

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
SCHEMBL28301176 0.85 MAPK1 (0.62) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL11005634 0.84 KCNMA1 (0.66) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL8430862 0.83 MAPK1 (0.61) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL116971 0.83 MAPK1 (0.65) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL28299521 0.83 MAPK1 (0.61) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL9210909 0.83 MAPK1 (0.61) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL28300949 0.83 MAPK1 (0.61) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL5606246 0.83 KCNMA1 (0.64) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL16739563 0.81 KCNMA1 (0.63) MAPK1MAPTALDH1A1KCNMA1PKM
SCHEMBL11459145 0.81 KCNMA1 (0.67) MAPK1MAPTALDH1A1KCNMA1PKM

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 13 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
WO-2006112828-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2006-10-26 WO 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
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 US 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 (4 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 MAPK1 1/4885MAPT 1076/4885ALDH1A1 2371/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 MAPK1 1/4885MAPT 936/4885ALDH1A1 1773/4885
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 MAPK1 2/4885MAPT 1615/4885ALDH1A1 1498/4885
US-20050065344-A1 Phenyl hydroxylamines containing one nitro and at least one trifluoromethyl substituent on the phenyl moiety; amination of indole NAT1, PNMT, HTR3A MAPK1 2207/4885MAPT 2905/4885ALDH1A1 469/4885

“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.