SCHEMBL5017068

SCHEMBL5017068

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccc(NC(=O)c4ccccc4C)cc3s2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
MAPT P10636 7/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 7/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
GHSR Q92847 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL5016958 0.86 MEN1 (0.44) PTGS2MAPTPOLBRAB9ALMNA
SCHEMBL27677755 0.86 LMNA (0.53) MAPTPOLBRAB9ATP53LMNA
SCHEMBL5016928 0.85 HSD17B10 (0.42) PTGS2MAPTPOLBRAB9ATP53
SCHEMBL14365374 0.84 GHSR (0.41) PTGS2MAPTPOLBRAB9ATP53
SCHEMBL5022953 0.83 KDM4E (0.53) MAPTPOLBRAB9ATP53LMNA
SCHEMBL5023079 0.83 ALDH1A1 (0.44) MAPTRAB9ATP53LMNASMN1; SMN2
SCHEMBL5016984 0.83 MAPT (0.43) PTGS2MAPTPOLBRAB9ALMNA
SCHEMBL5016959 0.81 HDAC1 (0.40) PTGS2MAPTPOLBTP53LMNA
SCHEMBL5023503 0.81 GHSR (0.38) PTGS2MAPTPOLBRAB9ALMNA
SCHEMBL5023445 0.80 MAPT (0.46) PTGS2MAPTPOLBRAB9ALMNA

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 18 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
CN-100368407-C 2-aminobenzothiazoles as CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-02-13 CN 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
CN-100368407-C 2-aminobenzothiazoles as CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-02-13 CN 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 PTGS2 2165/4885MAPT 3262/4885POLB 3347/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 PTGS2 1724/4885MAPT 3619/4885POLB 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.