SCHEMBL20109312

SCHEMBL20109312

ClP1N(c2ccccc2)c2ccccc2N1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CES1 P23141 2/20 0.33
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGLL Q99685 1/20 0.31
ALDH2 P05091 1/20 0.31
CHRM1 P11229 1/20 0.31
ALDH3A1 P30838 1/20 0.31
GSK3A P49840 2/20 0.30
GSK3B P49841 2/20 0.30
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 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
SCHEMBL8977093 0.76 GSK3A (0.39) GAAALDH1A1NPSR1HPGDKDM4E
SCHEMBL12353437 0.73 CES2 (0.32) GAAALDH1A1CES1CES2BCHE
SCHEMBL12353360 0.73 CES2 (0.32) GAAALDH1A1CES1CES2BCHE
SCHEMBL12353438 0.71 CES2 (0.31) GAAALDH1A1CES1CES2BCHE
SCHEMBL17596435 0.70 SIGMAR1 (0.39) ALDH1A1KDM4ESIGMAR1MEN1NPC1
SCHEMBL12353434 0.69
SCHEMBL12353439 0.69 ALDH1A1 (0.32) ALDH1A1MGLL
SCHEMBL13654545 0.66 CES1 (0.40) GAAALDH1A1CES1CES2BCHE
SCHEMBL22068219 0.64 ALDH1A1 (0.50) GAAALDH1A1CES1CES2BCHE
SCHEMBL30060869 0.64 ALDH1A1 (0.50) GAAALDH1A1CES1CES2BCHE

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 GAA 4181/4885ALDH1A1 4621/4885CES1 3917/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 GAA 4181/4885ALDH1A1 4621/4885CES1 3917/4885

“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.