SCHEMBL20113893

SCHEMBL20113893

C/C=C(/CC(=O)OCC)P1(=S)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.37
OPRM1 P35372 4/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
SLC22A1 O15245 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.36
MDM2 Q00987 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
SCHEMBL20113907 1.00 RAB9A (0.39) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL20113894 0.90 RAB9A (0.37) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL20113905 0.90 RAB9A (0.37) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL20113906 0.90 MEN1 (0.45) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL20113910 0.89 NPC1 (0.37) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL20113896 0.88 HPGD (0.36) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL20109270 0.86 RAB9A (0.39) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL20113527 0.86 RAB9A (0.39) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL20113533 0.86 RAB9A (0.39) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL20109323 0.86 RAB9A (0.39) RAB9ANPC1MAPTALDH1A1GAA

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 2 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

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 RAB9A 1464/4885NPC1 1228/4885MAPT 4371/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 RAB9A 1464/4885NPC1 1228/4885MAPT 4371/4885

“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.