SCHEMBL20113532

SCHEMBL20113532

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
GAA P10253 5/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
MDM2 Q00987 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPID Q08752 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL20113462 0.90 MEN1 (0.42) MAPTGAAALDH1A1RAB9AL3MBTL1
SCHEMBL17596727 0.87 MAPT (0.40) MAPTGAAALDH1A1L3MBTL1ATM
SCHEMBL17596725 0.87 GAA (0.40) MAPTGAAALDH1A1L3MBTL1ATM
SCHEMBL20113635 0.86 MAPT (0.44) MAPTGAAALDH1A1RAB9AL3MBTL1
SCHEMBL20113543 0.86 ALDH1A1 (0.44) ALDH1A1RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL20113533 0.86 RAB9A (0.39) MAPTGAAALDH1A1RAB9AL3MBTL1
SCHEMBL20113904 0.86 MAPT (0.39) MAPTGAAALDH1A1L3MBTL1ATM
SCHEMBL20113527 0.86 RAB9A (0.39) MAPTGAAALDH1A1RAB9AL3MBTL1
SCHEMBL20113545 0.83 RAB9A (0.37) MAPTGAAALDH1A1RAB9AL3MBTL1
SCHEMBL20113544 0.83 RAB9A (0.37) MAPTGAAALDH1A1RAB9AL3MBTL1

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 MAPT 4371/4885GAA 4181/4885ALDH1A1 4621/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 MAPT 4371/4885GAA 4181/4885ALDH1A1 4621/4885

“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.