SCHEMBL3176131

SCHEMBL3176131

COc1ccc2c(c1)C(=O)Nc1ccccc1S2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 5/20 0.68
▸ MAPT P10636 7/20 0.64
▸ GAA P10253 6/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ TDP1 Q9NUW8 3/20 0.64
▸ HTT P42858 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SNCA P37840 2/20 0.51
▸ LRRK2 Q5S007 2/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ RYR2 Q92736 1/20 0.48
▸ POLB P06746 2/20 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
SCHEMBL3175562 0.89 NOX1 (0.68) NOX1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL8879433 0.86 MAPT (0.68) NOX1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL239600 0.82 NOX1 (1.00) NOX1MAPTGAASMN1; SMN2L3MBTL1
Phenothiazine SCHEMBL9074312 0.82 NOX1 (1.00) NOX1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL7710864 0.81 L3MBTL1 (0.68) NOX1MAPTGAASMN1; SMN2L3MBTL1
Benzene SCHEMBL29242182 0.80 NOX1 (0.97) NOX1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL17085846 0.80 TP53 (0.49) NOX1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL30186311 0.80 TP53 (0.49) NOX1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL4080414 0.79 NOX1 (1.00) NOX1MAPTGAASMN1; SMN2L3MBTL1
SCHEMBL8988 0.78 L3MBTL1 (1.00) NOX1MAPTGAASMN1; SMN2L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671195-B2 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2010-03-02 — — US disclosed
EP-1996568-A2 PROCESS FOR PREPARING DIBENZOTHIAZEPINE COMPOUNDS AstraZeneca UK Limited (GB) 2008-12-03 — — EP disclosed
US-7314930-B2 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2008-01-01 — — US disclosed
WO-2007102352-A2 PROCESS FOR PREPARING DIBENZOTHIAZEPINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2007-09-13 — — WO disclosed
US-20070203336-A1 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2007-08-30 — — US disclosed
US-20060173178-A1 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-08-03 — — US disclosed
US-7045621-B1 Process for producing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-05-16 — — US disclosed
EP-1201663-A1 PROCESS FOR PRODUCING DIBENZOTHIAZEPINE DERIVATIVES Ube Industries, Ltd. (JP) 2002-05-02 — — 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 (2 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-20060173178-A1 Process for preparing dibenzothiazepine derivatives TPMT, BBOX1, NISCH NOX1 2830/4885MAPT 1561/4885GAA 4292/4885
US-20070203336-A1 Process for preparing dibenzothiazepine compounds TST, ADH1C, ADH5 NOX1 3553/4885MAPT 2277/4885GAA 4640/4885

“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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