SCHEMBL20113433

SCHEMBL20113433

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IDO1 P14902 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33

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 0.86 TDP1 (0.39) TDP1L3MBTL1NPC1MAPTRAB9A
SCHEMBL20109230 0.86 GAA (0.34) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL20109345 0.86 TDP1 (0.39) TDP1L3MBTL1NPC1MAPTRAB9A
SCHEMBL20113904 0.73 MAPT (0.39) L3MBTL1MAPTALDH1A1KDM4ELMNA
SCHEMBL20109244 0.73 HDAC3 (0.33) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL20109214 0.72 CHRNA7 (0.36) MAPTCYP3A4NFKB1MAPK1
SCHEMBL20109144 0.72 NPSR1 (0.32) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL20109228 0.72 ALDH1A1 (0.33) L3MBTL1MAPTALDH1A1KDM4ELMNA
SCHEMBL20113730 0.71 TDP1 (0.41) TDP1L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL20113399 0.71 TDP1 (0.44) TDP1L3MBTL1SMN1; SMN2ALDH1A1LMNA

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 TDP1 2513/4885L3MBTL1 3799/4885NPC1 1228/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 TDP1 2513/4885L3MBTL1 3799/4885NPC1 1228/4885

“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.