SCHEMBL5016978

SCHEMBL5016978

CCOc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2nc3ccccc3s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
MAPK1 P28482 4/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPSR1 Q6W5P4 4/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 4/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.42
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BLM P54132 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL5017126 0.91 NPSR1 (0.50) MAPTMAPK1POLBNPSR1KDM4E
SCHEMBL5016931 0.90 NPSR1 (0.51) MAPTMAPK1POLBTDP1NPSR1
SCHEMBL5023069 0.89 MAPT (0.49) MAPTMAPK1POLBTDP1NPSR1
SCHEMBL5023000 0.89 MAPT (0.46) MAPTMAPK1POLBNPSR1KDM4E
SCHEMBL5023493 0.88 MAPT (0.48) MAPTMAPK1POLBTDP1NPSR1
SCHEMBL5023114 0.88 SMN1; SMN2 (0.47) MAPTPOLBNPSR1KDM4ESMN1; SMN2
SCHEMBL5023100 0.86 SMN1; SMN2 (0.46) MAPTNPSR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5016923 0.86 SMN1; SMN2 (0.57) MAPTNPSR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5022901 0.84 MAPT (0.47) MAPTMAPK1POLBNPSR1KDM4E
SCHEMBL5022974 0.77 MAPT (0.52) MAPTPOLBNPSR1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP claimed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US claimed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US claimed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP claimed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO claimed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 US claimed
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 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 (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-20070021478-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 MAPT 3262/4885MAPK1 2251/4885POLB 3347/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 MAPT 3619/4885MAPK1 839/4885POLB 4268/4885

“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.