SCHEMBL6179656

SCHEMBL6179656

COc1cc(OC)nc(-n2c(C)nc3cc(C)ccc32)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PIK3CB P42338 1/20 0.39
NLRP3 Q96P20 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL6179131 0.87 TLR8 (0.44) PIK3CDPIK3CATHRBALDH1A1TDP1
SCHEMBL6181550 0.87 PIK3CD (0.36) PIK3CDPIK3CATHRBTDP1HTT
SCHEMBL29361651 0.85 KMT2A (0.47) PIK3CDPIK3CATHRBALDH1A1TDP1
SCHEMBL175716 0.85 KMT2A (0.47) PIK3CDPIK3CATHRBALDH1A1TDP1
SCHEMBL13052930 0.85 PIK3CD (0.48) PIK3CDPIK3CAALDH1A1HTTHSD17B10
SCHEMBL6180393 0.83 MAPK1 (0.44) PIK3CDPIK3CAALDH1A1TDP1HTT
SCHEMBL374122 0.83 HTT (0.56) PIK3CDPIK3CAALDH1A1HTTPIK3CB
SCHEMBL31026758 0.83 HTT (0.56) PIK3CDPIK3CAALDH1A1HTTPIK3CB
SCHEMBL27527658 0.81 PIK3CD (0.45) PIK3CDPIK3CATHRBALDH1A1TDP1
SCHEMBL10986633 0.75 ALDH1A1 (0.57) ALDH1A1HTTHSD17B10KDM4ESMN1; SMN2

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-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP disclosed
US-6872729-B2 Pyrimidinylbenzimidazole and triazinylbenzimidazole derivatives and agricultural/horticultural fungicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-03-29 US disclosed
US-20040023966-A1 Agricultural/ horticultural fungicides containing said derivatives as the active ingredients. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-02-05 US disclosed
US-6576631-B1 Broad disease control spectrum; residual effectiveness, rainfastness; nondamaging to crops KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US disclosed
EP-1132387-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-12 EP 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-20040023966-A1 Agricultural/ horticultural fungicides containing said derivatives as the active ingredients. CBR3, TH, CASP3 PIK3CD 1004/4885PIK3CA 1779/4885THRB 2802/4885

“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.