SCHEMBL2287633

SCHEMBL2287633

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CTSA P10619 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL2291751 0.93 KMT2A (0.34) EDNRBEDNRANPC1RAB9ACYP1A2
SCHEMBL2285229 0.90 GAA (0.38) EDNRBEDNRAKDM4E
SCHEMBL2287644 0.85 NPC1 (0.32) NPC1RAB9ACYP1A2
SCHEMBL3781495 0.85 KDM4E (0.39) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL2287006 0.84 HSP90AA1 (0.36) NPC1RAB9ACYP1A2ALDH1A1CTSA
SCHEMBL2288291 0.84 ALDH1A1 (0.32) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL2286990 0.84 ALDH1A1 (0.32) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL2291804 0.84 EDNRB (0.31) EDNRBEDNRA
SCHEMBL3773426 0.83 ALOX5AP (0.30) EDNRBEDNRA
SCHEMBL3773425 0.83 TDO2 (0.30) EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773124-B1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2012-08-22 EP disclosed
US-8008484-B2 Use of sulfonanilides as agricultural and horticultural fungicide BAYER CROPSCIENCE AG (DE) 2011-08-30 US disclosed
US-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide BAYER CROPSCIENCE AG (DE) 2007-09-20 US disclosed
EP-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 WO disclosed
WO-1996041799-A1 SULPHONAMIDES AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1996-12-27 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-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide CBR3, CYP51A1, CBR1 EDNRB 2225/4885EDNRA 1567/4885NPC1 3382/4885

“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.