SCHEMBL20109244

SCHEMBL20109244

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.33
HDAC4 P56524 6/20 0.33
HDAC1 Q13547 6/20 0.33
HDAC7 Q8WUI4 6/20 0.33
HDAC2 Q92769 6/20 0.33
HDAC10 Q969S8 6/20 0.33
HDAC11 Q96DB2 6/20 0.33
HDAC8 Q9BY41 6/20 0.33
HDAC6 Q9UBN7 6/20 0.33
HDAC9 Q9UKV0 6/20 0.33
HDAC5 Q9UQL6 6/20 0.33
NPSR1 Q6W5P4 4/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.32
PLA2G1B P04054 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 5/20 0.31

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) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20109144 0.86 NPSR1 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20109230 0.85 GAA (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20113532 0.81 MAPT (0.40) NPSR1ALDH1A1LMNAKMT2AGAA
SCHEMBL20109257 0.75 ALDH1A1 (0.33) ALDH1A1LMNATSHRKMT2AGAA
SCHEMBL20113543 0.74 ALDH1A1 (0.44) NPSR1ALDH1A1LMNAKMT2ANPC1
SCHEMBL20109345 0.74 TDP1 (0.39) ALDH1A1LMNATSHRKMT2AMAPT
SCHEMBL20113433 0.73 TDP1 (0.38) ALDH1A1LMNAKMT2AMAPTKDM4E
SCHEMBL17596727 0.70 MAPT (0.40) ALDH1A1KMT2AGAAMAPT
SCHEMBL20109255 0.70 HTT (0.33) ALDH1A1TSHRKMT2AMAPT

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 HDAC3 1176/4885HDAC4 1531/4885HDAC1 1748/4885

“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.