SCHEMBL5027153

SCHEMBL5027153

COc1ccc(Nc2nc3ccccc3s2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.70
RAB9A P51151 10/20 0.70
SMN1; SMN2 Q16637 8/20 0.70
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
POLB P06746 1/20 0.70
MAPT P10636 6/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
STAT3 P40763 1/20 0.62
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
ALDH1A1 P00352 3/20 0.54
GAA P10253 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
SCHEMBL5027286 0.91 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5023068 0.89 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5025801 0.87 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12827995 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5023490 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1822612 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5027241 0.82 RAB9A (0.80) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12827994 0.81 IMPDH2 (0.66)
SCHEMBL23664475 0.80 RAB9A (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24847391 0.80 MGLL (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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.