SCHEMBL5713599

SCHEMBL5713599

Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.73
▸ RAB9A P51151 3/20 0.73
▸ NPC1 O15118 2/20 0.73
▸ L3MBTL1 Q9Y468 2/20 0.73
▸ EPHX1 P07099 3/20 0.60
▸ ALDH1A1 P00352 8/20 0.58
▸ HPGD P15428 2/20 0.58
▸ LMNA P02545 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ ALOX12 P18054 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MAPK1 P28482 1/20 0.56
▸ PDPK1 O15530 1/20 0.56
▸ CYTH3 O43739 1/20 0.56
▸ AKT1 P31749 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ TP53 P04637 1/20 0.55

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
SCHEMBL3116240 0.87 POLB (0.64) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL4251730 0.84 MAPT (1.00) MAPTRAB9ANPC1L3MBTL1EPHX1
SCHEMBL5713568 0.82 ALDH1A1 (0.78) MAPTRAB9ANPC1L3MBTL1EPHX1
SCHEMBL18340971 0.80 EPHX1 (0.65) MAPTRAB9ANPC1L3MBTL1EPHX1
SCHEMBL11166295 0.79 ALDH1A1 (0.67) MAPTRAB9ANPC1L3MBTL1EPHX1
SCHEMBL16030259 0.79 EPHX1 (0.64) MAPTRAB9ANPC1L3MBTL1EPHX1
SCHEMBL5453730 0.78 MAPT (0.78) MAPTRAB9ANPC1L3MBTL1EPHX1
SCHEMBL16119683 0.78 EPHX1 (0.81) MAPTRAB9ANPC1L3MBTL1EPHX1
SCHEMBL30827451 0.78 EPHX1 (0.62) MAPTRAB9ANPC1L3MBTL1EPHX1
SCHEMBL14576535 0.78 EPHX1 (0.62) MAPTRAB9ANPC1L3MBTL1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100420678-C Cyclization process for substituted benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2008-09-24 — — CN disclosed
EP-1583752-B1 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-16 — — EP disclosed
US-7087761-B2 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-08 — — US disclosed
CN-1738808-A Cyclization process for substituted benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2006-02-22 — — CN disclosed
EP-1583752-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 — — EP disclosed
WO-2004060879-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 — — WO disclosed
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-07-15 — — US 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-20040138465-A1 Cyclization process for substituted benzothiazole derivatives CBR3, CBR1, OXTR MAPT 4736/4885RAB9A 2975/4885NPC1 962/4885

“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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