SCHEMBL20855014

SCHEMBL20855014

CNC(=O)C(C)/C(C)=C\C(=N\O)Oc1ccn(-c2ccc(C)c(C)c2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL20855016 0.86 ALDH1A1 (0.35) NPC1ALDH1A1CYP1A2
SCHEMBL20636911 0.85 SIGMAR1 (0.34) ALDH1A1CYP1A2CYP2C19
SCHEMBL20636903 0.83 ACACB (0.32) NPC1ALDH1A1
SCHEMBL20855015 0.81 KDM4E (0.30) NPC1
SCHEMBL22190076 0.78
SCHEMBL16322667 0.66 UBE2N (0.36) NPC1ALDH1A1
SCHEMBL16202041 0.66 ALDH1A1 (0.38) NPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL16202039 0.64 ALDH1A1 (0.40) NPC1ALDH1A1
SCHEMBL16319262 0.64 NPC1 (0.35) NPC1ALDH1A1CYP1A2CYP2C19TP53
SCHEMBL16319264 0.64 NPC1 (0.35) NPC1ALDH1A1CYP1A2CYP2C19TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190098899-A1 FUNGICIDAL MIXTURES III COMPRISING STROBILURIN-TYPE FUNGICIDES BASF SE (DE) 2019-04-04 US claimed

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-20190098899-A1 FUNGICIDAL MIXTURES III COMPRISING STROBILURIN-TYPE FUNGICIDES DDT, SNX3, SFXN3 NPC1 2368/4885ALDH1A1 1035/4885CYP1A2 171/4885

“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.