SCHEMBL6178936

SCHEMBL6178936

COc1nc(Nc2ccc(Cl)cc2[N+](=O)[O-])nc(OC)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
KCNMA1 Q12791 1/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL6178286 0.85 MAPT (0.49) L3MBTL1KCNMA1ALDH1A1HTTMAPT
SCHEMBL6178670 0.85 ALDH1A1 (0.57) L3MBTL1KCNMA1ALDH1A1HTTMAPT
SCHEMBL6178230 0.82 L3MBTL1 (0.60) L3MBTL1KCNMA1ALDH1A1NPSR1HTT
SCHEMBL6178841 0.81 MAPK1 (0.51) L3MBTL1ALDH1A1HTTPKMMAPT
SCHEMBL5656560 0.77 MAPT (0.57) L3MBTL1ALDH1A1NPSR1PKMMAPT
SCHEMBL6176751 0.76 GAA (0.59) L3MBTL1KCNMA1ALDH1A1PKMMAPT
SCHEMBL6178784 0.76 GAA (0.48) ALDH1A1HTTMAPTSMN1; SMN2POLB
SCHEMBL6180773 0.76 RAB9A (0.55) L3MBTL1KCNMA1ALDH1A1NPSR1PKM
SCHEMBL4932340 0.76 MAPT (0.73) L3MBTL1ALDH1A1HTTPKMMAPT
SCHEMBL13977092 0.75 HTT (0.61) ALDH1A1HTTMAPTSMN1; SMN2POLB

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-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP claimed
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 L3MBTL1 2168/4885KCNMA1 1409/4885ALDH1A1 1015/4885

“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.