SCHEMBL20109345

SCHEMBL20109345

C=C(CC(=O)SCc1ccccc1)P1(=O)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 6/20 0.34
METAP2 P50579 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.32
POLB P06746 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
SCHEMBL20113633 0.87 TDP1 (0.39) TDP1L3MBTL1MAPTRAB9ANPC1
SCHEMBL20113433 0.86 TDP1 (0.38) TDP1L3MBTL1MAPTRAB9ANPC1
SCHEMBL20109144 0.86 NPSR1 (0.32) MAPTLMNAKMT2AALDH1A1MAPK1
SCHEMBL17596740 0.81 MAPT (0.34) MAPTRAB9ANPC1SMN1; SMN2METAP2
SCHEMBL17596768 0.78 MAPT (0.37) L3MBTL1MAPTSMN1; SMN2METAP2LMNA
SCHEMBL20109318 0.78 CES2 (0.37) L3MBTL1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL17595856 0.77 ALDH1A1 (0.44) TDP1L3MBTL1MAPTRAB9ANPC1
SCHEMBL17596737 0.76 PHGDH (0.35) MAPTRAB9ANPC1METAP2LMNA
SCHEMBL20113730 0.75 TDP1 (0.41) TDP1L3MBTL1SMN1; SMN2IDO1NOS3
SCHEMBL20113399 0.75 TDP1 (0.44) TDP1L3MBTL1SMN1; SMN2IDO1NOS3

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 TDP1 2513/4885L3MBTL1 3799/4885MAPT 4371/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 TDP1 2513/4885L3MBTL1 3799/4885MAPT 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.