SCHEMBL2289403

SCHEMBL2289403

COc1cc(C)nc(C(SC)c2ccc(F)cc2N)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 3/20 0.32

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
SCHEMBL2290050 0.92 EDNRB (0.32) ALDH1A1
SCHEMBL2286359 0.85 ALDH1A1 (0.37) ALDH1A1HTT
SCHEMBL2289419 0.84 HTT (0.32) ALDH1A1HTT
SCHEMBL2286645 0.82 ALDH1A1 (0.34) ALDH1A1HTT
SCHEMBL2286202 0.82 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL2285593 0.82 EDNRB (0.32) ALDH1A1
SCHEMBL2287278 0.82
SCHEMBL2291751 0.80 KMT2A (0.34) ALDH1A1HTT
SCHEMBL2289762 0.77 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL2287157 0.77 EDNRB (0.30)

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
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
EP-1758584-A1 METHODS FOR TREATING A MAMMAL BEFORE, DURING AND AFTER CARDIAC ARREST ABBOTT LABORATORIES (US) 2007-03-07 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 WO disclosed
WO-2005117884-A1 METHODS FOR TREATING A MAMMAL BEFORE, DURING AND AFTER CARDIAC ARREST ABBOTT LABORATORIES (US) 2005-12-15 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 ALDH1A1 1037/4885HTT 1936/4885

“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.