SCHEMBL3781495

SCHEMBL3781495

COc1cc(OC)nc(C(SC)c2cccc(OC)c2N)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 2/20 0.36
MCHR1 Q99705 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
DCPS Q96C86 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3776049 0.89 KDM4E (0.33) KDM4EALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL2291153 0.88 KCNK3 (0.33) KDM4EALDH1A1HPGD
SCHEMBL2287633 0.85 EDNRB (0.35) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2287006 0.85 HSP90AA1 (0.36) KDM4EALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL2286990 0.85 ALDH1A1 (0.32) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2288291 0.85 ALDH1A1 (0.32) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3782833 0.85 MCHR1 (0.35) KDM4EALDH1A1HSP90AA1HSP90AB1MCHR1
SCHEMBL2881624 0.82 NPC1 (0.30) ALDH1A1NPC1RAB9A
SCHEMBL2282979 0.79 HSP90AA1 (0.40) ALDH1A1HSP90AA1HSP90AB1MAPT
SCHEMBL2291751 0.79 KMT2A (0.34) ALDH1A1HSP90AA1NPC1RAB9A

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-20100323896-A1 USE OF SULFONANILIDES AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-12-23 US disclosed
US-20090305894-A1 use of sulfonanilides as herbicide BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
EP-1928242-A2 A USE OF SULFONANILIDES AS HERBICIDE Bayer CropScience AG (DE) 2008-06-11 EP disclosed
WO-2007031208-A2 A USE OF SULFONANILIDES AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2007-03-22 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-20100323896-A1 USE OF SULFONANILIDES AS HERBICIDE CBR3, HCAR3, HCRTR1 KDM4E 2569/4885ALDH1A1 769/4885HPGD 3222/4885
US-20090305894-A1 use of sulfonanilides as herbicide CBR3, HCAR3, CBR1 KDM4E 2770/4885ALDH1A1 717/4885HPGD 3125/4885

“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.