SCHEMBL5025802

SCHEMBL5025802

Clc1cc(Cl)cc(Nc2nc3ccccc3s2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.68
RAB9A P51151 13/20 0.68
SMN1; SMN2 Q16637 13/20 0.68
MAPT P10636 6/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
CASP3 P42574 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
PIK3CG P48736 1/20 0.62
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 5/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54

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
SCHEMBL3951197 0.88 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5017000 0.85 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1820681 0.81 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL30195363 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1821021 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL30073965 0.80 NPC1 (0.78) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL3112891 0.80 NPC1 (0.78) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL14881038 0.78 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1820826 0.77 DHODH (0.59) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1820740 0.77 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 6 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
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
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 NPC1 421/4885RAB9A 1479/4885SMN1; SMN2 3860/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 NPC1 237/4885RAB9A 900/4885SMN1; 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.