SCHEMBL19152011

SCHEMBL19152011

COC(=O)c1ccccc1N(C)C(=S)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 4/20 0.56
ALOX12 P18054 3/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 2/20 0.56
SLC6A3 Q01959 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL9728484 0.85 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EALOX12HPGD
SCHEMBL9728781 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EALOX12MEN1
SCHEMBL9409114 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL9728508 0.76 KMT2A (0.47) ALDH1A1KMT2AKDM4EALOX12HPGD
SCHEMBL28409026 0.75 KMT2A (0.61) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL10400661 0.74 PKM (0.66) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL9818479 0.74 POLB (0.52) ALDH1A1KMT2AKDM4EALOX12HPGD
SCHEMBL4444645 0.72 KMT2A (0.67) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL29408467 0.72 KMT2A (0.67) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL43644 0.72 KMT2A (0.67) ALDH1A1KMT2AKDM4EHPGDMAPT

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-9981920-B2 Inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-07-20 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-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 ALDH1A1 619/4885KMT2A 18/4885KDM4E 258/4885

“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.