SCHEMBL16660548

SCHEMBL16660548

C#CCN(C(=O)C(=C)CS)c1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CACNA2D1 P54289 1/20 0.30
DGAT1 O75907 1/20 0.30
NAMPT P43490 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
SCHEMBL16660567 0.89 ALDH1A1 (0.32) ALDH1A1CACNA2D1DGAT1NAMPT
SCHEMBL16660587 0.87 NPC1 (0.35) GAAALDH1A1CACNA2D1DGAT1
SCHEMBL14892979 0.86 ALDH1A1 (0.37) GAAALDH1A1CACNA2D1DGAT1NAMPT
SCHEMBL16650214 0.84 MAPK1 (0.32) DGAT1
SCHEMBL16650212 0.84 MAPK1 (0.32) DGAT1
SCHEMBL14900856 0.84 DGAT1 (0.33) GAAALDH1A1DGAT1NAMPT
SCHEMBL16660590 0.84 DGAT1 (0.32) DGAT1
SCHEMBL16650328 0.84 NPC1 (0.34) DGAT1
SCHEMBL16650327 0.84 NPC1 (0.34) DGAT1
SCHEMBL14900964 0.83 NAMPT (0.35) GAAALDH1A1DGAT1NAMPT

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 GAA 4497/4885ALDH1A1 3099/4885CACNA2D1 870/4885

“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.