SCHEMBL16660546

SCHEMBL16660546

CN(C(=O)C(=N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KIF11 P52732 1/20 0.30
DGAT1 O75907 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL16660545 0.90 HTT (0.36) ALDH1A1RAB9ANPC1MAPK1GAA
SCHEMBL16650700 0.86 MAPK1 (0.35) ALDH1A1RAB9ANPC1MAPK1GAA
SCHEMBL16650699 0.86 MAPK1 (0.35) ALDH1A1RAB9ANPC1MAPK1GAA
SCHEMBL16660540 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15346914 0.84 NPC1 (0.36) ALDH1A1RAB9ANPC1MAPK1GAA
SCHEMBL16269905 0.83 KIF11 (0.37) ALDH1A1RAB9ANPC1MAPK1GAA
SCHEMBL16660600 0.81 DGAT1 (0.33) DGAT1
SCHEMBL16660615 0.80 DGAT1 (0.32) RAB9ANPC1DGAT1
SCHEMBL16660623 0.78 GRM1 (0.30)
SCHEMBL16650089 0.77 NPC1 (0.35) ALDH1A1RAB9ANPC1MAPK1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9497966-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-11-22 US disclosed
US-20150111732-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2015-04-23 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 (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-20150111732-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, PRDX1, PRDX2 ALDH1A1 3099/4885RAB9A 31/4885NPC1 4454/4885

“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.