SCHEMBL6764580

SCHEMBL6764580

N#Cc1ccc(CC(=O)Nc2cc(NS(=O)(=O)c3ccccc3)cc3c2CCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MCL1 Q07820 1/20 0.44
NLRP3 Q96P20 3/20 0.43
METAP2 P50579 1/20 0.42
PARP1 P09874 1/20 0.42
LMNA P02545 1/20 0.42
MAPK14 Q16539 1/20 0.41
AR P10275 1/20 0.41
RORC P51449 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM1A O60341 1/20 0.40
IDO1 P14902 1/20 0.40
GPR27 Q9NS67 2/20 0.39
AVPR2 P30518 1/20 0.39

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
SCHEMBL6766001 0.85 TMPRSS6 (0.47) HDAC1HDAC8NPC1RAB9AMCL1
SCHEMBL6571948 0.83 HDAC1 (0.48) HDAC1HDAC8MCL1LMNAAR
SCHEMBL6766536 0.82 HDAC1 (0.52) HDAC1HDAC8MCL1LMNAAR
SCHEMBL6762133 0.80 POLB (0.53) HDAC1HDAC8MCL1LMNAAR
SCHEMBL6574016 0.79 HDAC1 (0.51) HDAC1HDAC8MCL1LMNAAR
SCHEMBL6766083 0.79 HDAC1 (0.51) HDAC1HDAC8MCL1METAP2LMNA
SCHEMBL6569935 0.77 MCL1 (0.49) HDAC1HDAC8MCL1METAP2LMNA
SCHEMBL6764596 0.77 HDAC1 (0.51) HDAC1HDAC8MCL1LMNAAR
SCHEMBL6767177 0.77 HDAC1 (0.51) HDAC1HDAC8MCL1LMNAAR
SCHEMBL6765129 0.76 MGAT2 (0.56) HDAC1HDAC8LMNAARRORC

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 723/4885NPC1 1387/4885

“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.