SCHEMBL20109221

SCHEMBL20109221

CCOC(=O)C(Cc1ccccc1-c1ccccc1)C(=S)P1(=O)N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.40
CYP2D6 P10635 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRM3 P20309 1/20 0.37
KCNH2 Q12809 1/20 0.37
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35

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
SCHEMBL20109146 0.88 KMT2A (0.46) KMT2ALMNACYP2D6SLC6A2SLC6A4
SCHEMBL21866414 0.82 KMT2A (0.45) KMT2ALMNACYP2D6SLC6A2SLC6A4
SCHEMBL20109258 0.82 KMT2A (0.44) KMT2ALMNACYP2D6SLC6A2SLC6A4
SCHEMBL21866413 0.74 KMT2A (0.45) KMT2ALMNACYP2D6SLC6A2SLC6A4
SCHEMBL20109272 0.73 GAA (0.40) KMT2ALMNAMMP8ALDH1A1KDM4E
SCHEMBL17596815 0.73 MMP8 (0.50) MMP8ALDH1A1CYP2C9CYP2C19GAA
SCHEMBL20109199 0.72 KMT2A (0.48) KMT2ALMNACYP2D6SLC6A2SLC6A4
SCHEMBL20109175 0.72 KMT2A (0.48) KMT2ALMNACYP2D6SLC6A2SLC6A4
SCHEMBL17595869 0.70 ALDH1A1 (0.43) KMT2AMMP8ALDH1A1GAAMEN1
SCHEMBL9357720 0.70 KMT2A (0.57) KMT2ALMNACYP2D6SLC6A2SLC6A4

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 KMT2A 2508/4885LMNA 3601/4885CYP2D6 3429/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 KMT2A 2508/4885LMNA 3601/4885CYP2D6 3429/4885

“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.