SCHEMBL5023445

SCHEMBL5023445

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccc([N+](=O)[O-])cc3s2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
LMNA P02545 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ALOX12 P18054 1/20 0.46
PAX8 Q06710 1/20 0.46
MAPK1 P28482 1/20 0.45
RORC P51449 1/20 0.45
POLB P06746 1/20 0.43
PTGS2 P35354 1/20 0.43
DYRK1A Q13627 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 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
SCHEMBL5023508 0.91 PYGL (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5022901 0.90 MAPT (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5016984 0.88 MAPT (0.43) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5022953 0.86 KDM4E (0.53) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5016931 0.84 NPSR1 (0.51) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5025793 0.82 KDM4E (0.53) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5023519 0.81 KDM4E (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5016928 0.81 HSD17B10 (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5017126 0.81 NPSR1 (0.50) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL14365374 0.80 GHSR (0.41) MAPTLMNAMEN1KMT2AALDH1A1

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
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-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 3262/4885LMNA 3666/4885MEN1 2848/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 MAPT 3619/4885LMNA 4004/4885MEN1 3370/4885

“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.