SCHEMBL6180534

SCHEMBL6180534

COc1nc(Nc2cc(C)ccc2N)nc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 2/20 0.48
MITF O75030 1/20 0.48
BLM P54132 1/20 0.48
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6178909 0.88 MAPT (0.45) MEN1KMT2AMAPTPOLBTP53
SCHEMBL6181312 0.84 MEN1 (0.48) MEN1KMT2AMAPTPOLBTP53
SCHEMBL6179197 0.83 LMNA (0.48) MEN1KMT2AMAPTPOLBCA1
SCHEMBL6176850 0.79 MAPT (0.50) MEN1KMT2AMAPTTP53BLM
SCHEMBL6179386 0.75 GAA (0.49) MEN1KMT2AMAPTBLMCA1
SCHEMBL6178784 0.74 GAA (0.48) MEN1KMT2AMAPTPOLBCA1
SCHEMBL6178286 0.73 MAPT (0.49) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL19861988 0.69 ALDH1A1 (0.53) MEN1KMT2AMAPTTP53CA1
SCHEMBL26812628 0.68 SMN1; SMN2 (0.70) MEN1KMT2AMAPTPOLBTP53
SCHEMBL4937983 0.66 MAPT (0.61) MEN1KMT2AMAPTTP53BLM

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 MEN1 1679/4885KMT2A 967/4885MAPT 4164/4885

“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.