SCHEMBL5016928

SCHEMBL5016928

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccc(NS(C)(=O)=O)cc3s2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
GHSR Q92847 2/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL14365374 0.92 GHSR (0.41) HSD17B10MEN1KMT2AALDH1A1GHSR
SCHEMBL5023079 0.91 ALDH1A1 (0.44) HSD17B10MEN1KMT2AALDH1A1MAPK1
SCHEMBL5022960 0.91 KDM4E (0.42) HSD17B10MEN1KMT2AALDH1A1MAPT
SCHEMBL14228297 0.90 HSD17B10 (0.41) HSD17B10MEN1KMT2AALDH1A1MAPK1
SCHEMBL5016959 0.89 HDAC1 (0.40) HSD17B10MEN1KMT2AALDH1A1MAPK1
SCHEMBL5016958 0.89 MEN1 (0.44) MEN1KMT2AALDH1A1GHSRPTGS2
SCHEMBL5023503 0.88 GHSR (0.38) HSD17B10GHSRPTGS2MAPTKDM4E
SCHEMBL5017068 0.85 PTGS2 (0.49) GHSRPTGS2MAPTSMN1; SMN2RAB9A
SCHEMBL5023519 0.85 KDM4E (0.42) HSD17B10MEN1KMT2AALDH1A1GHSR
SCHEMBL5022953 0.85 KDM4E (0.53) HSD17B10MEN1KMT2AALDH1A1MAPK1

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 HSD17B10 780/4885MEN1 2848/4885KMT2A 1259/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 HSD17B10 755/4885MEN1 3370/4885KMT2A 2119/4885

“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.