SCHEMBL16079449

SCHEMBL16079449

CCCCc1ccc(N(C)/C=N\O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
CYP4F11 Q9HBI6 1/20 0.47
CYP4F12 Q9HCS2 1/20 0.47
SKP2 Q13309 1/20 0.46
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
THRA P10827 1/20 0.34

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
SCHEMBL16083945 1.00 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL23092965 0.78 SKP2 (0.58) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL3986115 0.74 SKP2 (0.49) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL23114374 0.74 SKP2 (0.49) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL16079472 0.71 CYP3A4 (0.64) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL5720593 0.70 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL5720594 0.70 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL5838115 0.69 SKP2 (0.68) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL23093089 0.68 SKP2 (0.42) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL2475751 0.68 NPC1 (0.62) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9295667-B2 Pharmaceutical composition for preventing or treating diabetes or fatty liver containing a CYP4A inhibitor as an active ingredient KOREA BASIC SCIENCE INSTITUTE (KR) 2016-03-29 US disclosed
US-20140275198-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DIABETES OR FATTY LIVER CONTAINING A CYP4A INHIBITOR AS AN ACTIVE INGREDIENT KOREA BASIC SCIENCE INSTITUTE (KR) 2014-09-18 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 (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-20140275198-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DIABETES OR FATTY LIVER CONTAINING A CYP4A INHIBITOR AS AN ACTIVE INGREDIENT CYP4A11, CYP4A22, CYP7A1 CYP3A4 11/4885CYP2D6 105/4885CYP2C9 86/4885

“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.