SCHEMBL3902859

SCHEMBL3902859

CC(C)NC(=O)c1cnn(C)c1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
ACACB O00763 4/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRM4 P08173 1/20 0.37
DDR1 Q08345 1/20 0.36
DDR2 Q16832 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL24567566 0.83 ACACB (0.42) ALOX5ACACBKDM4EMAPTL3MBTL1
SCHEMBL2061609 0.82 MAPK14 (0.44) ACACBPOLBMAPK11MAPK14NPC1
SCHEMBL9921391 0.79 POLB (0.39) ACACBKDM4EPOLBMAPK11MAPK14
SCHEMBL3436120 0.79 CYP1A2 (0.51) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL11965637 0.76 MAPK1 (0.40) KDM4EPOLBMAPTMAPK14NPC1
SCHEMBL535661 0.76 KDM4E (0.44) KDM4EPOLBMAPTL3MBTL1MAPK14
SCHEMBL174225 0.76 RIPK2 (0.51) KDM4EPOLBMAPK14NPC1RAB9A
SCHEMBL939409 0.74 NPC1 (0.52) KDM4EPOLBMAPTNPC1RAB9A
SCHEMBL27714949 0.74 PROKR1 (0.39) KDM4EPOLBMAPTMAPK14NPC1
SCHEMBL22336048 0.71 RAB9A (0.39) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560564-B2 Heterocyclic diamide invertebrate pest control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-14 US disclosed
CN-100352808-C Heterocyclic diamide invertebrate pest control agents DU PONT (US) 2007-12-05 CN disclosed
US-20060205748-A1 Heterocyclic diamide invertebrate pest control agents ANNIS GARY D 2006-09-14 US disclosed
US-20040102324-A1 Heterocyclic diamide invertebrate pest control agents E.I. DU PONT DE NEMOURS AND COMPANY 2004-05-27 US disclosed
CN-1494530-A Heterocyclic diamide invertebrate pest control agents �Ű˾ 2004-05-05 CN 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-20060205748-A1 Heterocyclic diamide invertebrate pest control agents DDT, DBF4, C1S ALOX5 1633/4885ACACB 4311/4885KDM4E 1378/4885
US-20040102324-A1 Heterocyclic diamide invertebrate pest control agents DDT, DBF4, DDC ALOX5 976/4885ACACB 4268/4885KDM4E 835/4885

“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.