SCHEMBL6138025

SCHEMBL6138025

Cc1cc(I)ccc1Nc1cc(F)c([N+](=O)[O-])cc1-c1nnc(N)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
MGAM O43451 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.35
IDO1 P14902 2/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ALDH3A1 P30838 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL6137913 0.88 KMT2A (0.33) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6137779 0.88 IDO1 (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6138054 0.81 ALOX5AP (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6137946 0.81 L3MBTL1 (0.45) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL6138139 0.80 KMT2A (0.33) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL6138159 0.80 KDM4E (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6137591 0.77 KMT2A (0.36) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL6137740 0.77 KMT2A (0.34) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL6138074 0.77 IDO1 (0.38) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL6137837 0.77 IDO1 (0.39) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP claimed
JP-2003504399-A 2003-02-04 JP claimed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US claimed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP claimed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP disclosed
US-6545030-B1 Treating proliferative diseases, the sequelae of a stroke or heart failure, xenograft rejection, osteoarthritis, HIV, rheumatoid arthritis, cystic fibrosis, hepatomegaly, shock,cardiomegaly, Alzheimer's disease, diabetes WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 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-20030004193-A1 1-Heterocycle substituted diarylamines IDH3A, CCNA1, HCCS GAA 4414/4885MGAM 4854/4885SI 4815/4885

“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.