Sugi Predict

Sugi Predict / Compounds / SCHEMBL3746644

SCHEMBL3746644

SCHEMBL3746644

CCCCCCOc1nccc(C(C#N)c2nc3ccccc3s2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 11/20 0.72
▸ MAPK9 P45984 10/20 0.72
▸ MAPK8 P45983 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ ATP4A P20648 5/20 0.37
▸ ATP4B P51164 5/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL5100167 0.87 MAPK10 (0.79) MAPK10MAPK9MAPK8ATP4AATP4B
SCHEMBL3752602 0.87 MAPK10 (0.70) MAPK10MAPK9MAPK8ALDH1A1MEN1
SCHEMBL15920594 0.87 MAPK10 (0.53) MAPK10MAPK9MAPK8ALDH1A1MEN1
SCHEMBL3751308 0.86 MAPK10 (0.72) MAPK10MAPK9MAPK8ALDH1A1MEN1
SCHEMBL2879293 0.84 MAPK10 (0.67) MAPK10MAPK9MAPK8ALDH1A1MEN1
SCHEMBL1518836 0.84 MAPK10 (1.00) MAPK10MAPK9MAPK8ALDH1A1MEN1
SCHEMBL4020865 0.82 MAPK10 (0.77) MAPK10MAPK9MAPK8ALDH1A1MEN1
SCHEMBL3752829 0.82 MAPK10 (0.67) MAPK10MAPK9MAPK8ALDH1A1MEN1
SCHEMBL1518907 0.82 MAPK10 (1.00) MAPK10MAPK9MAPK8ALDH1A1MEN1
SCHEMBL8360670 0.82 MAPK10 (0.79) MAPK10MAPK9MAPK8ALDH1A1MEN1

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 9 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-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 — — US disclosed
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
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 — — US 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 MAPK10 3176/4885MAPK9 3960/4885MAPK8 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.