SCHEMBL6571962

SCHEMBL6571962

COC(=O)N(CC(=O)O)c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
PGR P06401 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MAOB P27338 1/20 0.41
HTT P42858 2/20 0.40
MMP2 P08253 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
MAPT P10636 2/20 0.40
MLYCD O95822 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KEAP1 Q14145 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
Bicarbonate SCHEMBL8911285 0.94 PGR (0.40) KMT2APGRMEN1NPC1CHRNB2
Bicarbonate SCHEMBL8911279 0.94 PGR (0.40) KMT2APGRMEN1NPC1CHRNB2
Bicarbonate SCHEMBL8911277 0.94 PGR (0.40) KMT2APGRMEN1NPC1CHRNB2
SCHEMBL8911281 0.83 PGR (0.40) KMT2APGRMEN1NPC1CHRNB2
SCHEMBL8604785 0.83 CYP11B1 (0.42) KMT2AMEN1NPC1MAOBHTT
SCHEMBL7282122 0.82 PGR (0.39) KMT2APGRMEN1NPC1CHRNB2
SCHEMBL10773101 0.81 CA12 (0.40) HTTMLYCDKEAP1NFE2L2
SCHEMBL2707534 0.80 ALDH1A1 (0.48) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL204330 0.80 MLYCD (0.40) HTTMLYCDALDH1A1
SCHEMBL7835897 0.80 BCL2A1 (0.45) MMP2ALDH1A1

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 9 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
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP 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 KMT2A 1232/4885PGR 3529/4885MEN1 1875/4885

“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.