SCHEMBL6766083

SCHEMBL6766083

CCc1ccc(NS(=O)(=O)c2ccccc2)cc1NC(=O)Cc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
RORC P51449 3/20 0.50
MCL1 Q07820 1/20 0.49
SMARCA2 P51531 1/20 0.48
KDM1A O60341 1/20 0.47
AR P10275 1/20 0.46
BRPF1 P55201 2/20 0.46
LMNA P02545 1/20 0.45
ATIC P31939 1/20 0.44
CYP19A1 P11511 1/20 0.44
GPR27 Q9NS67 2/20 0.44
AVPR2 P30518 1/20 0.44
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.43

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
SCHEMBL6766536 0.89 HDAC1 (0.52) HDAC1HDAC8RORCMCL1KDM1A
SCHEMBL6762133 0.87 POLB (0.53) HDAC1HDAC8RORCMCL1KDM1A
SCHEMBL6571948 0.84 HDAC1 (0.48) HDAC1HDAC8RORCMCL1KDM1A
SCHEMBL6771080 0.83 F2 (0.51) HDAC1HDAC8MCL1METAP2
SCHEMBL6571770 0.82 RORC (0.50) HDAC1HDAC8RORCMCL1KDM1A
SCHEMBL6767177 0.81 HDAC1 (0.51) HDAC1HDAC8RORCMCL1KDM1A
SCHEMBL6569935 0.81 MCL1 (0.49) HDAC1HDAC8RORCMCL1KDM1A
SCHEMBL6574016 0.81 HDAC1 (0.51) HDAC1HDAC8RORCMCL1KDM1A
SCHEMBL6571783 0.80 LMNA (0.51) HDAC1HDAC8RORCKDM1ALMNA
SCHEMBL6570647 0.80 MCL1 (0.54) HDAC1HDAC8RORCMCL1KDM1A

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 723/4885RORC 1596/4885

“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.