SCHEMBL16652575

SCHEMBL16652575

CCN(C(=O)CN(C)C(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AGTR1 P30556 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 1/20 0.32
HTT P42858 1/20 0.31
MAT2A P31153 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRMT5 O14744 1/20 0.31
CYP3A4 P08684 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL16652916 0.94 DGAT1 (0.37) DGAT1NPC1RAB9AAGTR1KDM4E
SCHEMBL14904598 0.93 DGAT1 (0.40) DGAT1NPC1RAB9AKDM4ETP53
SCHEMBL16652848 0.91 DGAT1 (0.38) DGAT1NPC1RAB9ATP53KMT2A
SCHEMBL16653075 0.90 DGAT1 (0.37) DGAT1NPC1RAB9AAGTR1KDM4E
SCHEMBL16652252 0.88 DGAT1 (0.38) DGAT1NPC1RAB9AAGTR1KDM4E
SCHEMBL15346722 0.88 DGAT1 (0.38) DGAT1NPC1RAB9AKDM4ETP53
SCHEMBL15975709 0.88 DGAT1 (0.39) DGAT1NPC1RAB9AKDM4ETP53
SCHEMBL14904650 0.88 DGAT1 (0.39) DGAT1NPC1RAB9ATP53KMT2A
SCHEMBL4968191 0.87 DGAT1 (0.39) DGAT1NPC1RAB9ATP53KMT2A
SCHEMBL15346513 0.87 DGAT1 (0.37) DGAT1NPC1RAB9ATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9523100-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-12-20 US disclosed
US-9523100-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-12-20 US disclosed
US-9523100-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-12-20 US disclosed
US-20160208281-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2016-07-21 US disclosed
US-20160208281-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2016-07-21 US disclosed
US-20160208281-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2016-07-21 US disclosed
US-9295260-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-03-29 US disclosed
US-9295260-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-03-29 US disclosed
US-9295260-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-03-29 US disclosed
WO-2015061165-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO disclosed
US-20150111734-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2015-04-23 US disclosed
US-20150111734-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2015-04-23 US disclosed
US-20150111734-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 (2 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-20160208281-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, RDX, PRDX1 DGAT1 3968/4885NPC1 3800/4885RAB9A 93/4885
US-20150111734-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, RDX, CHRM2 DGAT1 3804/4885NPC1 3692/4885RAB9A 102/4885

“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.