SCHEMBL15910341

SCHEMBL15910341

CCNC(=P)N(C)c1cn(-c2cccnc2)nc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DGAT1 O75907 1/20 0.36
CYP2A6 P11509 3/20 0.34
CYP2E1 P05181 2/20 0.34
GAA P10253 1/20 0.34
TLR8 Q9NR97 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NOTUM Q6P988 1/20 0.33
ELANE P08246 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL15356754 0.91 DGAT1 (0.36) NAMPTNPC1RAB9ADGAT1CYP2A6
SCHEMBL16269898 0.87 NPC1 (0.41) NAMPTNPC1RAB9ADGAT1GAA
SCHEMBL14904675 0.87 GAA (0.35) NAMPTNPC1RAB9ADGAT1CYP2A6
SCHEMBL15910403 0.83 ELOVL1 (0.32)
SCHEMBL16269900 0.81 DGAT1 (0.41) NAMPTNPC1RAB9ADGAT1GAA
SCHEMBL15975600 0.81 NPC1 (0.40) NAMPTNPC1RAB9ADGAT1CYP2A6
SCHEMBL21021142 0.79 CYP2A6 (0.42) NPC1RAB9ACYP2A6CYP2E1GAA
SCHEMBL15346873 0.78 DGAT1 (0.39) NPC1RAB9ADGAT1GAAALDH1A1
SCHEMBL2733010 0.78 NPC1 (0.42) NAMPTNPC1RAB9ACYP2A6CYP2E1
SCHEMBL15346451 0.77 KMT2A (0.36) NPC1RAB9ADGAT1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-11-03 US disclosed
US-20150166531-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-06-18 US disclosed
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-07-31 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 (3 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-20160318924-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NAMPT 2860/4885NPC1 3920/4885RAB9A 980/4885
US-20140213448-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NAMPT 2860/4885NPC1 3920/4885RAB9A 980/4885
US-20150166531-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NAMPT 2860/4885NPC1 3920/4885RAB9A 980/4885

“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.