SCHEMBL3137602

SCHEMBL3137602

COc1[c]ccc(-n2cccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL243161 0.80 CYP11B1 (0.55) MAPTCYP11B1CYP11B2
SCHEMBL159734 0.75 NOTUM (0.41) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL3143426 0.74 ALDH1A1 (0.45) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3140130 0.73 ALDH1A1 (0.44) MAPTALDH1A1KDM4EGAANPSR1
SCHEMBL29249307 0.73 ALDH1A1 (0.44) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11790710 0.73 HTT (0.51) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL3134037 0.72 MAPT (0.42) MAPTALDH1A1KDM4EGAANPSR1
SCHEMBL7388020 0.71 RAB9A (0.40) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL13733386 0.71 MAPT (0.41) MAPTALDH1A1KDM4EGAANPSR1
SCHEMBL1637383 0.71 POLB (0.42) MAPTALDH1A1KDM4EGAANPSR1

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
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 EP disclosed
US-5017582-A Analgesics SANDOZ LTD. (CH) 1991-05-21 US disclosed
US-4910207-A Antipsychotic agent NOVARTIS AG (CH) 1990-03-20 US disclosed
US-4803199-A SEROTONIN ANTAGONIST, ANALGESIC ANTIARRHYTHMIC AGENTS NOVARTIS AG (CH) 1989-02-07 US disclosed
WO-1984000166-A1 BENZOIC ACID PIPERIDYL ESTER DERIVATIVES AND METHOD OF PRODUCTION AND UTILIZATION THEREOF SANDOZ AG (CH) 1984-01-19 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 MAPT 4734/4885TUBB4A 3031/4885TUBB 2931/4885

“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.