SCHEMBL5872790

SCHEMBL5872790

Cc1cccc2sc(C(N)=O)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 8/20 0.52
GAA P10253 1/20 0.49
PKM P14618 1/20 0.47
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 3/20 0.46
ALOX15 P16050 2/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
MCL1 Q07820 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.46
ACP1 P24666 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL2212181 0.85 ALDH1A1 (0.54) ALDH1A1MAPTGAAPKMMEN1
SCHEMBL1039915 0.81 PDPK1 (0.59) ALDH1A1MAPTKMT2AKDM4EHPGD
SCHEMBL18742358 0.81 LIMK1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1038566 0.81 TDP1 (0.62) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL3060022 0.80 SMN1; SMN2 (0.57) ALDH1A1MAPTGAAPKMMEN1
SCHEMBL3057415 0.80 LMNA (0.57) ALDH1A1MAPTGAAPKMMEN1
SCHEMBL29786252 0.80 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL14358291 0.78 ALDH1A1 (0.48) ALDH1A1MAPTGAAPKMMEN1
SCHEMBL8403887 0.77 HSD17B1 (0.49) ALDH1A1MAPTGAAPKMMEN1
SCHEMBL28400513 0.76 ALDH1A1 (0.53) ALDH1A1MAPTGAAPKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001905-B2 Substituted diarylamines as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-21 US disclosed
US-20030225076-A1 5-Amide substituted diarylamines as mex inhibitors BIWERSI CATHLIN (US) 2003-12-04 US disclosed
EP-1339702-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-09-03 EP disclosed
WO-2001068619-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEX INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-20 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-20030225076-A1 5-Amide substituted diarylamines as mex inhibitors NRAS, MAPK6, MAPK12 ALDH1A1 1236/4885MAPT 4808/4885GAA 2927/4885

“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.