SCHEMBL20109319

SCHEMBL20109319

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL17596725 0.88 GAA (0.40) GAAALDH1A1MAPTL3MBTL1ATM
SCHEMBL20109145 0.79 ALDH1A1 (0.41) SMN1; SMN2GAAALDH1A1MAPTL3MBTL1
SCHEMBL20109140 0.79 CHRNA7 (0.36) ALDH1A1MAPTMEN1KMT2A
SCHEMBL17595869 0.78 ALDH1A1 (0.43) GAAALDH1A1MAPTL3MBTL1ATM
SCHEMBL17596727 0.78 MAPT (0.40) GAAALDH1A1MAPTL3MBTL1ATM
SCHEMBL20113532 0.78 MAPT (0.40) SMN1; SMN2GAAALDH1A1MAPTL3MBTL1
SCHEMBL17596721 0.78 MEN1 (0.42) SMN1; SMN2GAAALDH1A1MAPTL3MBTL1
SCHEMBL17596845 0.78 MAPT (0.34) SMN1; SMN2GAAALDH1A1MAPTMEN1
SCHEMBL17596436 0.77 GAA (0.39) SMN1; SMN2GAAALDH1A1MAPTMEN1
SCHEMBL20109270 0.77 RAB9A (0.39) GAAALDH1A1MAPTL3MBTL1ATM

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 3 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
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 NOTUM 905/4885SMN1; SMN2 3047/4885GAA 4181/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 NOTUM 905/4885SMN1; SMN2 3047/4885GAA 4181/4885

“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.