SCHEMBL6137913

SCHEMBL6137913

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
IDO1 P14902 2/20 0.33
ALDH3A1 P30838 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6137779 0.88 IDO1 (0.35) KMT2AIDO1ALDH3A1ALDH1A1MAPT
SCHEMBL6138025 0.88 GAA (0.44) KMT2AIDO1ALDH3A1ALDH1A1MAPT
SCHEMBL6137669 0.80 KMT2A (0.33) KMT2AIDO1ALDH3A1ALDH1A1MAPT
SCHEMBL6137837 0.80 IDO1 (0.39) KMT2AIDO1ALDH3A1ALDH1A1MAPT
SCHEMBL6138154 0.80 IDO1 (0.36) IDO1
SCHEMBL6137946 0.77 L3MBTL1 (0.45) KMT2AIDO1ALDH3A1ALDH1A1MAPT
SCHEMBL6138074 0.77 IDO1 (0.38) KMT2AIDO1ALDH3A1ALDH1A1MAPT
SCHEMBL6137591 0.77 KMT2A (0.36) KMT2AIDO1ALDH3A1ALDH1A1MAPT
SCHEMBL6137740 0.77 KMT2A (0.34) KMT2AIDO1ALDH3A1ALDH1A1MAPT
SCHEMBL6137980 0.77 IDO1 (0.39) KMT2AIDO1ALDH3A1ALDH1A1MAPT

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
CN-1334807-A 1-heterocycle substd. diarylamines WARNER LAMBERT CO (US) 2002-02-06 CN 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
CN-1149204-C 1-heterocyclic substituted diarylamines ��ʲ 2004-05-12 CN 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
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
CN-1334807-A 1-heterocycle substd. diarylamines WARNER LAMBERT CO (US) 2002-02-06 CN disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 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 KMT2A 467/4885IDO1 244/4885ALDH3A1 207/4885

“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.