SCHEMBL5016973

SCHEMBL5016973

COc1ccc(N(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c2nc3ccccc3s2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 5/20 0.49
KMT2A Q03164 1/20 0.49
NCS1 P62166 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CSNK1D P48730 2/20 0.40
KLF5 Q13887 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
SCHEMBL5016994 0.91 LMNA (0.49) KDM4EHPGDNPSR1MAPTSMN1; SMN2
SCHEMBL5023488 0.91 KDM4E (0.52) KDM4EHPGDNPSR1MAPTSMN1; SMN2
SCHEMBL5016943 0.82 KDM4E (0.49) KDM4EHPGDNPSR1MAPTSMN1; SMN2
SCHEMBL5022953 0.80 KDM4E (0.53) KDM4EHPGDNPSR1MAPTSMN1; SMN2
SCHEMBL5016964 0.80 LMNA (0.54) KDM4EHPGDNPSR1MAPTSMN1; SMN2
SCHEMBL5023546 0.80 KDM4E (0.51) KDM4EHPGDNPSR1MAPTSMN1; SMN2
SCHEMBL5022901 0.76 MAPT (0.47) KDM4EHPGDNPSR1MAPTSMN1; SMN2
SCHEMBL5016945 0.75 LMNA (0.52) KDM4EHPGDNPSR1MAPTSMN1; SMN2
SCHEMBL5025793 0.74 KDM4E (0.53) KDM4EHPGDNPSR1MAPTSMN1; SMN2
SCHEMBL5022929 0.74 PPARG (0.44) KDM4EHPGDNPSR1MAPTSMN1; 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 16 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-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
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 KDM4E 2073/4885HPGD 2366/4885NPSR1 35/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 KDM4E 1919/4885HPGD 2126/4885NPSR1 58/4885

“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.