SCHEMBL16660610

SCHEMBL16660610

CCN(C(=O)C(=N)CSCCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAT2A P31153 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL16660542 0.95 DGAT1 (0.34) DGAT1NPC1RAB9AHTTKMT2A
SCHEMBL16660672 0.91 DGAT1 (0.33) DGAT1NPC1RAB9AHTTKMT2A
SCHEMBL16660561 0.90 DGAT1 (0.33) DGAT1NPC1RAB9AMAT2AKMT2A
SCHEMBL16660615 0.90 DGAT1 (0.32) DGAT1NPC1RAB9AMAT2A
SCHEMBL16660569 0.90 DGAT1 (0.34) DGAT1NPC1RAB9AMAT2AHTT
SCHEMBL15356816 0.90 DGAT1 (0.36) DGAT1NPC1RAB9AMAT2AHTT
SCHEMBL16660622 0.90 DGAT1 (0.30) DGAT1
SCHEMBL16660680 0.88 DGAT1 (0.34) DGAT1NPC1RAB9AMAT2A
SCHEMBL16660571 0.87 SLC6A9 (0.31)
SCHEMBL16657631 0.87 DGAT1 (0.33) DGAT1NPC1RAB9AMAT2AALDH1A1

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 DGAT1 4760/4885NPC1 4454/4885RAB9A 31/4885

“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.