SCHEMBL3747871

SCHEMBL3747871

N#CCc1nc(OCc2ccc(CN3CCc4ccccc4C3)cc2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.42
MAPK10 P53779 2/20 0.42
MAPK8 P45983 1/20 0.42
DRD4 P21917 3/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A4 P31645 1/20 0.39
HDAC1 Q13547 1/20 0.39
FFAR1 O14842 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL5033422 0.88 MAPK9 (0.47) MAPK9MAPK10MAPK8DRD4DRD2
SCHEMBL5042890 0.88 MAPK9 (0.46) MAPK9MAPK10MAPK8DRD4DRD2
SCHEMBL5033477 0.85 MAPK9 (0.45) MAPK9MAPK10MAPK8DRD4DRD2
SCHEMBL4949235 0.80 RAB9A (0.44) MAPK9MAPK10MAPK8DRD4DRD2
SCHEMBL4952153 0.79 MAPK8 (0.49) MAPK9MAPK10MAPK8DRD4DRD2
SCHEMBL4948638 0.79 MAPK9 (0.43) MAPK9MAPK10RAB9AMEN1NPC1
SCHEMBL3745074 0.74 MAPK10 (0.75) MAPK9MAPK10MAPK8DRD2DRD3
SCHEMBL4950093 0.74 LTA4H (0.50) MAPK9MAPK10MAPK8RAB9AALDH1A1
SCHEMBL5596710 0.74 ALDH1A1 (0.47) MAPK9MAPK10RAB9AMEN1NPC1
SCHEMBL4950482 0.73 FNTA (0.42) MAPK9MAPK10RAB9ANPC1L3MBTL1

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 5 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
EP-1812072-B1 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2008-10-22 EP disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
EP-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 EP 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 MAPK9 3960/4885MAPK10 3176/4885MAPK8 4361/4885

“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.