SCHEMBL5016931

SCHEMBL5016931

CCOc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 3/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 7/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
ALOX12 P18054 1/20 0.45
PAX8 Q06710 1/20 0.45
BLM P54132 1/20 0.43
PTPN1 P18031 1/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42

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
SCHEMBL5023069 0.91 MAPT (0.49) NPSR1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5016978 0.90 MAPT (0.52) NPSR1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5023493 0.89 MAPT (0.48) NPSR1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5016923 0.86 SMN1; SMN2 (0.57) NPSR1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5023445 0.84 MAPT (0.46) NPSR1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5017126 0.80 NPSR1 (0.50) NPSR1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5023114 0.79 SMN1; SMN2 (0.47) NPSR1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5023000 0.78 MAPT (0.46) NPSR1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5023100 0.77 SMN1; SMN2 (0.46) NPSR1ALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5016946 0.76 MAPT (0.46) NPSR1ALDH1A1SMN1; SMN2HTTRAB9A

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 NPSR1 35/4885ALDH1A1 716/4885SMN1; SMN2 3860/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 NPSR1 58/4885ALDH1A1 274/4885SMN1; SMN2 3483/4885

“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.