SCHEMBL20239221

SCHEMBL20239221

COCC(=O)NCc1ccc(Oc2cc(CNc3ncc(Cl)cn3)ccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.45
LOXL2 Q9Y4K0 5/20 0.45
LOX P28300 4/20 0.45
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL20259233 0.91 LOX (0.45) VNN1LOXL2LOXCYP3A4CYP1A2
SCHEMBL18249766 0.81 PLAAT3 (0.44) VNN1LOXL2LOXMAP2K7
SCHEMBL20259265 0.78 ACACB (0.55)
SCHEMBL20239268 0.78 ACACB (0.48) LOXL2
SCHEMBL20239301 0.78 LMNA (0.41) VNN1LOXL2LOXCYP3A4SMN1; SMN2
SCHEMBL20239191 0.78 LOXL2 (0.44) VNN1LOXL2LOX
SCHEMBL20239181 0.77 ALDH1A1 (0.45) VNN1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL20239188 0.77 DGAT2 (0.40) VNN1LOXL2LOX
Hydrochloric Acid SCHEMBL21924527 0.76 LOXL2 (0.40) VNN1LOXL2LOX
Hydrochloric Acid SCHEMBL21924528 0.76 LOXL2 (0.40) VNN1LOXL2LOX

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-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 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-20180162825-A1 NOVEL DGAT2 INHIBITORS DGAT2, DGAT1, LCAT VNN1 3148/4885LOXL2 2081/4885LOX 2453/4885

“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.