SCHEMBL5017126

SCHEMBL5017126

COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2nc3ccccc3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.41

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
SCHEMBL5022901 0.91 MAPT (0.47) NPSR1GAAMAPK1HTTMAPT
SCHEMBL5016978 0.91 MAPT (0.52) NPSR1GAAMAPK1HTTMAPT
SCHEMBL5023000 0.88 MAPT (0.46) NPSR1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL5022974 0.87 MAPT (0.52) NPSR1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL5016995 0.85 MAPT (0.51) NPSR1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL5016979 0.85 MAPT (0.53) NPSR1HTTMAPTSMN1; SMN2KDM4E
SCHEMBL5023445 0.81 MAPT (0.46) NPSR1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL5023508 0.80 PYGL (0.47) NPSR1GAAMAPK1HTTMAPT
SCHEMBL5016931 0.80 NPSR1 (0.51) NPSR1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL5016974 0.80 KDM4E (0.51) NPSR1GAAMAPTSMN1; SMN2KDM4E

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 35/4885GAA 3396/4885MAPK1 2251/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 NPSR1 58/4885GAA 2705/4885MAPK1 839/4885

“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.