SCHEMBL5023491

SCHEMBL5023491

O=C(c1ccccc1Cl)N(c1ccc(OC(F)(F)F)cc1)c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
NPSR1 Q6W5P4 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
DYRK1A Q13627 1/20 0.40
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
GPR55 Q9Y2T6 1/20 0.39
LMNA P02545 4/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL5016976 0.90 DHODH (0.48) KDM4ENPSR1SMN1; SMN2HPGDTSHR
SCHEMBL5023523 0.89 KDM4E (0.44) KDM4ENPSR1SMN1; SMN2HPGDTSHR
SCHEMBL5016979 0.86 MAPT (0.53) KDM4ENPSR1SMN1; SMN2HPGDTSHR
SCHEMBL5016950 0.85 SMN1; SMN2 (0.45) KDM4ENPSR1SMN1; SMN2HPGDTSHR
SCHEMBL5016923 0.84 SMN1; SMN2 (0.57) KDM4ENPSR1SMN1; SMN2HPGDTSHR
SCHEMBL5022972 0.83 RAB9A (0.49) KDM4ENPSR1SMN1; SMN2HPGDTSHR
SCHEMBL5016934 0.81 KDM4E (0.46) KDM4ENPSR1SMN1; SMN2HPGDTSHR
SCHEMBL5022983 0.79 KDM4E (0.44) KDM4ENPSR1SMN1; SMN2HPGDTSHR
SCHEMBL5032539 0.79 KDM4E (0.43) KDM4ENPSR1SMN1; SMN2TDP1GPBAR1
SCHEMBL14228182 0.78 KDM4E (0.56) KDM4ENPSR1SMN1; SMN2HPGDTSHR

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 15 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
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
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 2073/4885NPSR1 35/4885SMN1; SMN2 3860/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 KDM4E 1919/4885NPSR1 58/4885SMN1; SMN2 3483/4885

“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.