SCHEMBL20109257

SCHEMBL20109257

C=C(CC(=O)N(C)OC)P1(=N)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
POLB P06746 3/20 0.31
CYP1A2 P05177 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL17596728 0.86 ALDH1A1 (0.33) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL17596730 0.86 ALDH1A1 (0.33) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL20109228 0.85 ALDH1A1 (0.33) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL20113532 0.81 MAPT (0.40) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL20109244 0.75 HDAC3 (0.33) ALDH1A1GAAKMT2AMAPTKDM4E
SCHEMBL20113543 0.75 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1KMT2ACYP2C19
SCHEMBL20109240 0.74 CHRNA7 (0.36) CYP3A4MAPK1HSD17B10MAPTBLM
SCHEMBL20113633 0.72 TDP1 (0.39) ALDH1A1L3MBTL1MEN1KMT2AMAPK1
SCHEMBL17596729 0.72 ALDH1A1 (0.33) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL20113462 0.71 MEN1 (0.42) ALDH1A1GAAL3MBTL1MEN1KMT2A

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-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
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 (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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885GAA 4181/4885L3MBTL1 3799/4885

“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.