SCHEMBL20109228

SCHEMBL20109228

C=C(CC(=O)N(C)OC)P1(=S)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 2/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
MAPT P10636 5/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP2C19 P33261 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 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
SCHEMBL17596728 0.86 ALDH1A1 (0.33) ALDH1A1L3MBTL1GAACHRM2CHRM4
SCHEMBL17596730 0.86 ALDH1A1 (0.33) ALDH1A1L3MBTL1GAACHRM2CHRM4
SCHEMBL20109257 0.85 ALDH1A1 (0.33) ALDH1A1L3MBTL1GAACHRM2CHRM4
SCHEMBL20113904 0.80 MAPT (0.39) ALDH1A1L3MBTL1GAAMAPTMEN1
SCHEMBL20109230 0.75 GAA (0.34) ALDH1A1GAAMAPTKMT2ANPSR1
SCHEMBL20109214 0.74 CHRNA7 (0.36) MAPTHSD17B10CYP3A4ALOX15MAPK1
SCHEMBL17596729 0.72 ALDH1A1 (0.33) ALDH1A1L3MBTL1GAAMAPTHSD17B10
SCHEMBL20113433 0.72 TDP1 (0.38) ALDH1A1L3MBTL1MAPTCYP2C19MEN1
SCHEMBL20113439 0.70 MEN1 (0.41) ALDH1A1L3MBTL1GAAMAPTHSD17B10
SCHEMBL20113897 0.70 MAPT (0.39) ALDH1A1GAAMAPTHSD17B10CYP2C19

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 ALDH1A1 4621/4885L3MBTL1 3799/4885GAA 4181/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885L3MBTL1 3799/4885GAA 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.