SCHEMBL3752137

SCHEMBL3752137

CCCCCCCCCCCCCCCCCC(=O)c1nc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.62
HTR1A P08908 9/20 0.62
HTR7 P34969 9/20 0.62
SLC6A4 P31645 7/20 0.62
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
HTR2A P28223 9/20 0.57
HTR2C P28335 3/20 0.57
HRH1 P35367 3/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 1/20 0.52
MCL1 Q07820 1/20 0.52
DRD3 P35462 2/20 0.51
DRD4 P21917 1/20 0.51

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
SCHEMBL30093447 1.00 DRD2 (0.62) DRD2HTR1AHTR7SLC6A4NPC1
SCHEMBL28919882 1.00 DRD2 (0.62) DRD2HTR1AHTR7SLC6A4NPC1
SCHEMBL1668218 1.00 DRD2 (0.62) DRD2HTR1AHTR7SLC6A4NPC1
SCHEMBL28919881 0.99 DRD2 (0.63) DRD2HTR1AHTR7SLC6A4NPC1
Bromide SCHEMBL28956727 0.97 DRD2 (0.62) DRD2HTR1AHTR7SLC6A4NPC1
SCHEMBL19043117 0.94 DRD2 (0.61) DRD2HTR1AHTR7SLC6A4NPC1
SCHEMBL1667888 0.92 FAAH (0.58) DRD2HTR1AHTR7SLC6A4NPC1
SCHEMBL1667887 0.92 FAAH (0.58) DRD2HTR1AHTR7SLC6A4NPC1
SCHEMBL12548965 0.88 NPC1 (0.63) DRD2HTR1AHTR7SLC6A4NPC1
SCHEMBL28172146 0.86 DRD2 (0.62) DRD2HTR1AHTR7SLC6A4NPC1

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
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
CN-101102796-A Benzothiazole formulations and uses thereof ARES TRADING SA (CH) 2008-01-09 CN disclosed
EP-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 EP disclosed
WO-2006053882-A3 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2006-09-08 WO disclosed
WO-2006053882-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING S.A. (CH) 2006-05-26 WO 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 (1 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-20080051397-A1 Benzothiazole Formulations and Use Thereof MGLL, MBOAT4, MBOAT1 DRD2 1796/4885HTR1A 1209/4885HTR7 705/4885

“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.