SCHEMBL20109349

SCHEMBL20109349

C=C(CC(=O)OCC)P1(=O)N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.44
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ANPEP P15144 1/20 0.33
DPP4 P27487 1/20 0.33
HTR7 P34969 1/20 0.33
CASP1 P29466 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL20109147 0.82 DPP4 (0.39) MEN1KMT2ATDP1SLC6A2ANPEP
SCHEMBL17596725 0.79 GAA (0.40) MEN1KMT2AALDH1A1MAPT
SCHEMBL17596721 0.77 MEN1 (0.42) MAPK1MEN1KMT2AALDH1A1MAPT
SCHEMBL20109265 0.76 DPP4 (0.40) MEN1KMT2ATDP1SLC6A2ANPEP
SCHEMBL17596797 0.75 CASP3 (0.39) MAPK1MEN1KMT2AALDH1A1MAPT
SCHEMBL20109348 0.71 GFER (0.42) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL20109154 0.70 GAA (0.45) KMT2AALDH1A1MAPTRAB9A
SCHEMBL20109249 0.70 GABRA1 (0.34) MEN1KMT2ATDP1SLC6A2ANPEP
SCHEMBL20109222 0.70 GABRA1 (0.34) MEN1KMT2ATDP1SLC6A2ANPEP
SCHEMBL17596727 0.69 MAPT (0.40) MEN1KMT2AALDH1A1MAPT

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 NLRP3 2697/4885MAPK1 2698/4885MEN1 469/4885

“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.