SCHEMBL5016971

SCHEMBL5016971

COc1cc(N(C(=O)c2ccccc2Cl)c2nc3ccccc3s2)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
MAPT P10636 5/20 0.52
NPSR1 Q6W5P4 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 6/20 0.51
KMT2A Q03164 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 2/20 0.45
GPR55 Q9Y2T6 1/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 2/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL5025793 0.92 KDM4E (0.53) KDM4EMAPTNPSR1SMN1; SMN2HPGD
SCHEMBL5022953 0.92 KDM4E (0.53) KDM4EMAPTNPSR1SMN1; SMN2HPGD
SCHEMBL5022965 0.90 LMNA (0.53) KDM4EMAPTNPSR1SMN1; SMN2HPGD
SCHEMBL5016936 0.88 KDM4E (0.51) KDM4EMAPTNPSR1SMN1; SMN2HPGD
SCHEMBL5016979 0.87 MAPT (0.53) KDM4EMAPTNPSR1SMN1; SMN2HPGD
SCHEMBL5016948 0.86 MAPT (0.69) KDM4EMAPTNPSR1SMN1; SMN2HPGD
SCHEMBL5016946 0.83 MAPT (0.46) KDM4EMAPTNPSR1SMN1; SMN2HPGD
SCHEMBL5016974 0.83 KDM4E (0.51) KDM4EMAPTNPSR1SMN1; SMN2HPGD
SCHEMBL5023546 0.83 KDM4E (0.51) KDM4EMAPTNPSR1SMN1; SMN2HPGD
SCHEMBL5016934 0.83 KDM4E (0.46) KDM4EMAPTNPSR1SMN1; SMN2HPGD

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 14 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
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 2073/4885MAPT 3262/4885NPSR1 35/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 KDM4E 1919/4885MAPT 3619/4885NPSR1 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.