SCHEMBL6137943

SCHEMBL6137943

Cc1cc(I)ccc1Nc1cc(F)c([N+](=O)[O-])cc1-c1nnn(C)c1O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
KMT2A Q03164 3/20 0.32
MAPT P10636 6/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
HTT P42858 4/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAP2K2 P36507 4/20 0.31
MAP2K1 Q02750 4/20 0.31
ALDH3A1 P30838 1/20 0.31
LMNA P02545 5/20 0.31
GAA P10253 1/20 0.30
MAPK1 P28482 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6137976 0.86 IDO1 (0.34) IDO1KMT2AMAPTSMN1; SMN2MAP2K2
SCHEMBL6138072 0.82 IDO1 (0.35) IDO1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6137789 0.80 IDO1 (0.36) IDO1MAPTHTTMAP2K2MAP2K1
SCHEMBL6137779 0.79 IDO1 (0.35) IDO1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6137983 0.79 IDO1 (0.35) IDO1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6137980 0.79 IDO1 (0.39) IDO1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6137785 0.78 IDO1 (0.38) IDO1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6137591 0.78 KMT2A (0.36) IDO1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6138074 0.78 IDO1 (0.38) IDO1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6137849 0.77 IDO1 (0.35) IDO1KMT2AMAPTSMN1; SMN2HTT

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 18 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
CN-1358095-A Methods of treating chronic pain using MEK inhibitors WARNER LAMBERT CO (US) 2002-07-10 CN 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
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
CN-1334807-A 1-heterocycle substd. diarylamines WARNER LAMBERT CO (US) 2002-02-06 CN 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 IDO1 244/4885KMT2A 467/4885MAPT 4537/4885

“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.