SCHEMBL3010887

SCHEMBL3010887

C/C(=N\Nc1nc2ccccc2s1)c1ccc(-c2ccc(C(=O)O)s2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.67
▸ KMT2A Q03164 9/20 0.67
▸ MAPT P10636 8/20 0.67
▸ GAA P10253 7/20 0.67
▸ HSP90AA1 P07900 3/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ RAB9A P51151 9/20 0.62
▸ NPC1 O15118 6/20 0.62
▸ LMNA P02545 4/20 0.62
▸ HPGD P15428 2/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ ADORA1 P30542 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ RAF1 P04049 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL3010893 1.00 MEN1 (0.67) MEN1KMT2AMAPTGAAHSP90AA1
SCHEMBL3006581 0.88 MEN1 (0.61) MEN1KMT2AMAPTGAAHSP90AA1
SCHEMBL3006576 0.88 MEN1 (0.61) MEN1KMT2AMAPTGAAHSP90AA1
SCHEMBL3013006 0.85 MAPT (0.58) MEN1KMT2AMAPTGAAHSP90AA1
SCHEMBL3009522 0.85 MEN1 (0.63) MEN1KMT2AMAPTGAAHSP90AA1
SCHEMBL3009525 0.85 MEN1 (0.63) MEN1KMT2AMAPTGAAHSP90AA1
SCHEMBL3012995 0.85 MAPT (0.58) MEN1KMT2AMAPTGAAHSP90AA1
SCHEMBL3009155 0.85 MAPT (0.57) MEN1KMT2AMAPTGAAHSP90AA1
SCHEMBL3009149 0.85 MAPT (0.57) MEN1KMT2AMAPTGAAHSP90AA1
SCHEMBL3010891 0.81 MAPT (0.48) MEN1KMT2AMAPTGAAHSP90AA1

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
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 — — US disclosed
EP-2193127-A1 BENZOTHIAZOLE COMPOUNDS The Walter and Eliza Hall Institute of Medical Research (AU) 2010-06-09 — — EP disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 — — 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-20100197711-A1 BENZOTHIAZOLE COMPOUNDS BAD, BCL2, BAX MEN1 3073/4885KMT2A 2439/4885MAPT 1423/4885

“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.

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