SCHEMBL16657642

SCHEMBL16657642

CCN(C(=O)C(CSCC(F)(F)F)=NOC)c1cn(-c2cccnc2)nc1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAP3K5 Q99683 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL16657648 0.91 DGAT1 (0.34) DGAT1NPC1RAB9AMAPK1
SCHEMBL16657644 0.91 DGAT1 (0.33) DGAT1NPC1RAB9AMAPK1
SCHEMBL16660671 0.85 DGAT1 (0.35) DGAT1NPC1RAB9AKMT2A
SCHEMBL16650788 0.85 DGAT1 (0.36) DGAT1NPC1RAB9A
SCHEMBL16650786 0.85 DGAT1 (0.36) DGAT1NPC1RAB9A
SCHEMBL16657671 0.84 DGAT1 (0.34) DGAT1NPC1RAB9AMAPK1
SCHEMBL16657646 0.84 DGAT1 (0.34) DGAT1NPC1RAB9AMAPK1
SCHEMBL16649955 0.83 DGAT1 (0.33) DGAT1NPC1RAB9A
SCHEMBL16649956 0.83 DGAT1 (0.33) DGAT1NPC1RAB9A
SCHEMBL16657640 0.83 DGAT1 (0.33) DGAT1NPC1RAB9A

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.