SCHEMBL20113465

SCHEMBL20113465

C=C(C(Cc1ccc(Cl)cc1)C(=O)OCC)P1(=N)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 6/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 2/20 0.37
APP P05067 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
EPHX2 P34913 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GFER P55789 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL20113547 0.93 MMP8 (0.49) MMP8ALDH1A1GAAL3MBTL1CYP1A2
SCHEMBL20109247 0.92 MMP8 (0.44) MMP8ALDH1A1GAAL3MBTL1MAPT
SCHEMBL17595855 0.89 MMP8 (0.43) MMP8ALDH1A1LMNAGAAHTT
SCHEMBL17595853 0.89 MMP8 (0.43) MMP8ALDH1A1LMNAGAAHTT
SCHEMBL20113438 0.88 MMP8 (0.42) MMP8ALDH1A1LMNAGAAHTT
SCHEMBL20113457 0.87 MMP8 (0.40) MMP8ALDH1A1TP53EPHX2NPY1R
SCHEMBL20113634 0.84 MMP8 (0.38) MMP8ALDH1A1L3MBTL1MAPTTP53
SCHEMBL20113550 0.82 MMP8 (0.39) MMP8ALDH1A1LMNAGAAHTT
SCHEMBL20113631 0.82 ALDH1A1 (0.43) MMP8ALDH1A1GAAL3MBTL1MAPT
SCHEMBL20109245 0.82 MMP8 (0.36) MMP8ALDH1A1L3MBTL1MAPTTP53

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-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 MMP8 4444/4885ALDH1A1 4621/4885LMNA 3601/4885

“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.