SCHEMBL20113462

SCHEMBL20113462

C=C(CC(=O)OCC)P1(=N)N(c2ccc(C)cc2)CCN1c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 6/20 0.39
GAA P10253 3/20 0.37
HSD17B10 Q99714 1/20 0.37
CASP3 P42574 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL20113532 0.90 MAPT (0.40) MEN1KMT2ARAB9AALDH1A1GAA
SCHEMBL20113635 0.89 MAPT (0.44) MEN1KMT2ARAB9ACYP2C19ALDH1A1
SCHEMBL17596723 0.87 MEN1 (0.42) MEN1KMT2ARAB9ACYP2C19ALDH1A1
SCHEMBL17596721 0.87 MEN1 (0.42) MEN1KMT2ARAB9ACYP2C19ALDH1A1
SCHEMBL20113439 0.86 MEN1 (0.41) MEN1KMT2ARAB9ACYP2C19ALDH1A1
SCHEMBL20109348 0.81 GFER (0.42) MEN1KMT2ARAB9ACYP2C19ALDH1A1
SCHEMBL17596799 0.77 MAPT (0.41) MEN1KMT2AALDH1A1GAACASP3
SCHEMBL17596797 0.77 CASP3 (0.39) MEN1KMT2AALDH1A1CASP3LMNA
SCHEMBL17596727 0.76 MAPT (0.40) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL20109254 0.76 GFER (0.41) MEN1KMT2ACYP2C19ALDH1A1GAA

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-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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 (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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 MEN1 469/4885KMT2A 2508/4885RAB9A 1464/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 MEN1 469/4885KMT2A 2508/4885RAB9A 1464/4885

“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.