SCHEMBL16652252

SCHEMBL16652252

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
AGTR1 P30556 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.33
RIPK1 Q13546 1/20 0.33
GRIN2B Q13224 2/20 0.33
HTT P42858 1/20 0.32
MAT2A P31153 2/20 0.32
PRMT5 O14744 1/20 0.31
CYP3A4 P08684 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
P2RX7 Q99572 1/20 0.31
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
SCHEMBL16653075 0.91 DGAT1 (0.37) DGAT1AGTR1KMT2AKDM4ENPC1
SCHEMBL15357238 0.90 DGAT1 (0.37) DGAT1KMT2ANPC1RAB9ATP53
SCHEMBL16652916 0.89 DGAT1 (0.37) DGAT1AGTR1KMT2AKDM4ENPC1
SCHEMBL14904598 0.89 DGAT1 (0.40) DGAT1KMT2AKDM4ENPC1RAB9A
SCHEMBL16652575 0.88 DGAT1 (0.37) DGAT1AGTR1KMT2AKDM4ENPC1
SCHEMBL16652258 0.88 DGAT1 (0.37) DGAT1AGTR1KMT2AKDM4ENPC1
SCHEMBL4970225 0.87 NPC1 (0.38) DGAT1AGTR1KMT2AKDM4ENPC1
SCHEMBL15346722 0.87 DGAT1 (0.38) DGAT1KMT2AKDM4ENPC1RAB9A
SCHEMBL15975709 0.87 DGAT1 (0.39) DGAT1KMT2AKDM4ENPC1RAB9A
SCHEMBL15357116 0.86 DGAT1 (0.41) DGAT1KMT2AKDM4ENPC1RAB9A

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 3968/4885AGTR1 1105/4885KMT2A 1020/4885
US-20150111734-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, RDX, CHRM2 DGAT1 3804/4885AGTR1 1059/4885KMT2A 1155/4885

“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.