SCHEMBL2289419

SCHEMBL2289419

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 4/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 2/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2286202 0.86 ALDH1A1 (0.33) HTTALDH1A1KMT2ASLC6A3CYP1A2
SCHEMBL2286645 0.86 ALDH1A1 (0.34) HTTALDH1A1POLBKMT2ASLC6A3
SCHEMBL2286008 0.86 HSP90AA1 (0.38) HTTALDH1A1KMT2ACYP1A2HSP90AA1
SCHEMBL2289403 0.84 ALDH1A1 (0.33) HTTALDH1A1
SCHEMBL2289391 0.78 KMT2A (0.36) HTTALDH1A1KMT2ASLC6A3CYP1A2
SCHEMBL2289151 0.77 EDNRB (0.33) ALDH1A1
SCHEMBL2290050 0.75 EDNRB (0.32) ALDH1A1
SCHEMBL2286655 0.74 HSP90AA1 (0.41) HTTALDH1A1KMT2ASLC6A3CYP1A2
SCHEMBL5501730 0.74 EDNRB (0.36) HTTALDH1A1SMN1; SMN2
SCHEMBL2288833 0.71 TDO2 (0.32) ALDH1A1

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 5 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

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 HTT 1936/4885ALDH1A1 1037/4885POLB 4783/4885

“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.