SCHEMBL5025796

SCHEMBL5025796

COc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
DYRK1A Q13627 1/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
ABCG2 Q9UNQ0 3/20 0.56
MCL1 Q07820 1/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 2/20 0.54
RIPK1 Q13546 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 2/20 0.52

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
SCHEMBL15063079 0.81 MAPT (0.73) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4908275 0.80 ALDH1A1 (0.71) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3948600 0.80 ABCG2 (0.66) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5023509 0.80 PTPN1 (0.63) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL15112845 0.79 KMT2A (0.66) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL29016669 0.78 ALDH1A1 (0.60) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL15063121 0.78 MAPT (0.74) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5027153 0.77 NPC1 (0.70) MAPTKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL23664475 0.77 RAB9A (0.55) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3753095 0.77 DYRK1A (0.71) MAPTKMT2AMEN1ALDH1A1LMNA

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 8 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 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-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
CN-1805745-A 2-aminobenzothiazoles as CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-07-19 CN 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 3262/4885KMT2A 1259/4885MEN1 2848/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 MAPT 3619/4885KMT2A 2119/4885MEN1 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.