SCHEMBL6764596

SCHEMBL6764596

N#Cc1ccc(CC(=O)Nc2c(Cl)cc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
AVPR2 P30518 1/20 0.51
GPR27 Q9NS67 1/20 0.51
RORC P51449 5/20 0.48
LMNA P02545 2/20 0.47
MCL1 Q07820 1/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
AR P10275 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM1A O60341 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL6574016 0.87 HDAC1 (0.51) HDAC1HDAC8GPR27RORCLMNA
SCHEMBL6767177 0.83 HDAC1 (0.51) HDAC1HDAC8RORCLMNAMCL1
SCHEMBL6766137 0.82 TMPRSS6 (0.53) HDAC1HDAC8RORCLMNAMCL1
SCHEMBL6571948 0.81 HDAC1 (0.48) HDAC1HDAC8GPR27RORCLMNA
SCHEMBL6766536 0.79 HDAC1 (0.52) HDAC1HDAC8GPR27RORCLMNA
SCHEMBL6762133 0.79 POLB (0.53) HDAC1HDAC8RORCLMNAMCL1
SCHEMBL6766083 0.78 HDAC1 (0.51) HDAC1HDAC8AVPR2GPR27RORC
SCHEMBL6764580 0.77 HDAC1 (0.45) HDAC1HDAC8AVPR2GPR27RORC
SCHEMBL6574363 0.77 MCL1 (0.47) HDAC1HDAC8RORCLMNAMCL1
SCHEMBL6571770 0.77 RORC (0.50) HDAC1HDAC8AVPR2GPR27RORC

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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 HDAC1 696/4885HDAC8 723/4885AVPR2 1739/4885

“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.