SCHEMBL6574029

SCHEMBL6574029

Cc1ccc(N(C)S(=O)(=O)c2cccc3ccccc23)cc1NC(=O)Cc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.38
SIRT2 Q8IXJ6 5/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6765358 0.86 F2 (0.50) TP53MAPTTDP1
SCHEMBL6765298 0.82 KDM1A (0.40) LMNAALDH1A1
SCHEMBL6570560 0.80 F2 (0.45) RORCIDO1LMNA
SCHEMBL6765970 0.75 F2 (0.47) TP53
SCHEMBL6570643 0.72 F2 (0.45) TP53ALDH1A1
SCHEMBL12700241 0.72 HPGD (0.70) RORCMAPTLMNA
SCHEMBL6765129 0.70 MGAT2 (0.56) RORCLMNAALDH1A1
SCHEMBL6766536 0.70 HDAC1 (0.52) RORCMAPTLMNA
SCHEMBL6574056 0.70 RORC (0.45) RORCKCNJ6KCNJ5KCNJ3IDO1
SCHEMBL6765249 0.69 F2 (0.42) LMNAALDH1A1

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-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
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO 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 RORC 1596/4885TP53 4032/4885MAPT 449/4885

“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.