SCHEMBL5022901

SCHEMBL5022901

COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2nc3ccccc3s2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 6/20 0.46
KMT2A Q03164 3/20 0.44
PTGS2 P35354 2/20 0.44
HTT P42858 3/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL5017126 0.91 NPSR1 (0.50) MAPTKDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL5023445 0.90 MAPT (0.46) MAPTKDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL5023508 0.89 PYGL (0.47) MAPTKDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL5023546 0.87 KDM4E (0.51) MAPTKDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL5022953 0.86 KDM4E (0.53) MAPTKDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL5016964 0.86 LMNA (0.54) MAPTKDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL5023000 0.84 MAPT (0.46) MAPTKDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL5016978 0.84 MAPT (0.52) MAPTKDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL5016974 0.84 KDM4E (0.51) MAPTKDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL5025793 0.82 KDM4E (0.53) MAPTKDM4ESMN1; SMN2HPGDNPSR1

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 13 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
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 3262/4885KDM4E 2073/4885SMN1; SMN2 3860/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 MAPT 3619/4885KDM4E 1919/4885SMN1; 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.