SCHEMBL3747719

SCHEMBL3747719

COc1cc(OC)nc(C(O)c2cccc(Br)c2N)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CTSA P10619 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
ACHE P22303 1/20 0.31
GRM4 Q14833 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
SCHEMBL3746106 0.86 ALDH1A1 (0.33) ALDH1A1NPC1RAB9ACTSAKDM4E
SCHEMBL3741203 0.84
SCHEMBL2292233 0.83 HSP90AA1 (0.37) ALDH1A1NPC1RAB9ACTSA
SCHEMBL2289411 0.83 ALDH1A1 (0.33) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL2289444 0.83 EDNRB (0.39) ALDH1A1NPC1RAB9ACTSAKDM4E
SCHEMBL2286990 0.81 ALDH1A1 (0.32) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL1719466 0.81 CTSA (0.35) CTSAEDNRBEDNRA
SCHEMBL1720783 0.80 CTSA (0.32) ALDH1A1NPC1RAB9ACTSAKDM4E
SCHEMBL2284490 0.76 KMT2A (0.38) ALDH1A1NPC1RAB9ACTSAEDNRB
SCHEMBL2291626 0.76 HSP90AA1 (0.41) ALDH1A1EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829703-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2010-11-09 US disclosed
US-7482308-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2009-01-27 US disclosed
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-12-18 US disclosed
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
EP-1750510-B1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2007-08-22 EP disclosed
EP-1750510-A1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2007-02-14 EP disclosed
WO-2005096818-A1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2005-10-20 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 (2 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-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides PFAS, DDT, HDHD5 ALDH1A1 327/4885NPC1 4678/4885RAB9A 2395/4885
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES HDHD5, PFAS, DDT ALDH1A1 296/4885NPC1 4580/4885RAB9A 1658/4885

“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.