SCHEMBL8224397

SCHEMBL8224397

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.47
GSK3B P49841 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
MT-CO2 P00403 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41

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
Hydrochloric Acid SCHEMBL3628689 0.94 MMP2 (0.48) HTTHPGDADRB2ADRB1ADRB3
SCHEMBL2579163 0.83 HTT (0.46) HTTGSK3BADRB2ADRB1ADRB3
SCHEMBL1565766 0.82 HTT (0.48) HTTGSK3BADRB2ADRB1ADRB3
SCHEMBL1565767 0.82 HTT (0.48) HTTGSK3BADRB2ADRB1ADRB3
SCHEMBL27514070 0.81 GSK3B (0.46) HTTGSK3BMMP2MMP3MEN1
SCHEMBL5077987 0.81 GSK3B (0.47) HTTGSK3BADRB2ADRB1ADRB3
SCHEMBL20943229 0.81 HTT (0.47) HTTGSK3BADRB2ADRB1ADRB3
SCHEMBL14448526 0.81 HTT (0.47) HTTGSK3BADRB2ADRB1ADRB3
SCHEMBL3937797 0.80 PTGS1 (0.56) GSK3BMT-CO2PTGS1PTGS2KMT2A
SCHEMBL319951 0.80 HTT (0.44) HTTADRB2ADRB1ADRB3CHRNB2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
EP-3476829-B1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME UNIV FUDAN (CN) 2021-12-15 EP disclosed
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-12-01 US disclosed
CN-107522634-B Biaryl urea carboxylic acid derivative or salt thereof, and preparation method and application thereof 复旦大学 2020-09-01 CN disclosed
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME UNIV FUDAN (CN) 2020-07-30 US disclosed
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-05-12 US disclosed
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME FUDAN UNIVERSITY (CN) 2019-08-15 US disclosed
EP-3476829-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME Fudan University (CN) 2019-05-01 EP disclosed
CN-107522634-A Biaryl ureas carboxylic acid derivates or its salt and its production and use 复旦大学 2017-12-29 CN disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2008002671-A2 METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-01-03 WO disclosed
US-5013412-A Process for the electrosynthesis of a beta,gamma-unsaturated ester SOCIETE NATIONALE DES POUDRES ET EXPLOSIES (SNPE) (FR) 1991-05-07 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 (5 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-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA HTT 2562/4885HPGD 2275/4885GSK3B 150/4885
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA HTT 2402/4885HPGD 2581/4885GSK3B 128/4885
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA HTT 2402/4885HPGD 2581/4885GSK3B 128/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 HTT 3318/4885HPGD 214/4885GSK3B 1521/4885
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA HTT 2562/4885HPGD 2275/4885GSK3B 150/4885

“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.