SCHEMBL3745487

SCHEMBL3745487

COc1cc(OC)nc(Cc2cccc(Br)c2N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
ADORA2A P29274 2/20 0.38
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MPO P05164 1/20 0.34
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
DHFR P00374 1/20 0.32
GRM4 Q14833 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
PAX8 Q06710 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
SCHEMBL3739891 0.84 ADORA2A (0.36) ADORA2AHTR6ADORA3ADORA1DHFR
SCHEMBL3775535 0.84 ALDH1A1 (0.43) PDE2AADORA2AALDH1A1HTR6KDM4E
SCHEMBL2283366 0.82 PDE2A (0.39) PDE2AADORA2AALDH1A1NPC1RAB9A
SCHEMBL3736038 0.82 PDE2A (0.39) PDE2AADORA2AALDH1A1NPC1RAB9A
SCHEMBL2288462 0.82 PDE2A (0.42) PDE2AALDH1A1NPC1RAB9AMPO
SCHEMBL8343646 0.78 PDE2A (0.46) PDE2AADORA2AALDH1A1NPC1RAB9A
SCHEMBL2292191 0.75 SLC6A3 (0.41) PDE2AADORA2AALDH1A1NPC1RAB9A
SCHEMBL2286122 0.75 HSP90AA1 (0.43) PDE2AALDH1A1HTR6KDM4ELMNA
SCHEMBL2283689 0.73 PDE2A (0.36) PDE2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL2285267 0.73 PDE2A (0.36) PDE2AADORA2AALDH1A1NPC1RAB9A

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 PDE2A 1758/4885ADORA2A 3675/4885ALDH1A1 327/4885
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES HDHD5, PFAS, DDT PDE2A 1856/4885ADORA2A 3708/4885ALDH1A1 296/4885

“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.