SCHEMBL2286008

SCHEMBL2286008

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 2/20 0.38
NR4A2 P43354 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 2/20 0.35
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
TDO2 P48775 1/20 0.32
HPGD P15428 1/20 0.32
ABL1 P00519 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL2285463 0.86 HSP90AA1 (0.39) HSP90AA1HSP90AB1NR4A2ALDH1A1HTT
SCHEMBL2289419 0.86 HTT (0.32) HSP90AA1ALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL2283614 0.85 HSP90AA1 (0.38) HSP90AA1HSP90AB1NR4A2ALDH1A1HTT
SCHEMBL2286359 0.82 ALDH1A1 (0.37) HSP90AA1HSP90AB1NR4A2ALDH1A1HTT
SCHEMBL2286655 0.79 HSP90AA1 (0.41) HSP90AA1HSP90AB1NR4A2ALDH1A1HTT
SCHEMBL2285496 0.77 CYP3A4 (0.36) HSP90AA1HSP90AB1NR4A2ALDH1A1HTT
SCHEMBL2289391 0.74 KMT2A (0.36) HSP90AA1ALDH1A1HTTTSHRTDO2
SCHEMBL2286202 0.74 ALDH1A1 (0.33) HSP90AA1ALDH1A1HTTCYP1A2KMT2A
SCHEMBL2289762 0.74 ALDH1A1 (0.33) HSP90AA1HSP90AB1NR4A2ALDH1A1HTT
SCHEMBL2285356 0.74 TDO2 (0.35) ALDH1A1TDO2

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 3 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

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 HSP90AA1 3876/4885HSP90AB1 3783/4885NR4A2 1515/4885

“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.