SCHEMBL315040

SCHEMBL315040

NNC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.70
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
KMO O15229 1/20 0.60
ERCC5 P28715 1/20 0.59
FEN1 P39748 1/20 0.59
NR1H4 Q96RI1 2/20 0.58
EPHX2 P34913 1/20 0.58
CFD P00746 1/20 0.56
KAT6A Q92794 1/20 0.55
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
AOC2 O75106 1/20 0.53
GRM5 P41594 1/20 0.53
F2R P25116 1/20 0.52
DHODH Q02127 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL25700071 0.94 ALDH1A1 (0.68) HDAC8KDM4EALDH1A1KMOERCC5
SCHEMBL28254875 0.94 ALDH1A1 (0.68) HDAC8KDM4EALDH1A1KMOERCC5
SCHEMBL3793085 0.91 ALDH1A1 (0.59) HDAC8KDM4EALDH1A1NR1H4EPHX2
SCHEMBL28047591 0.90 HDAC8 (0.55) HDAC8KDM4EALDH1A1KMOERCC5
SCHEMBL31148960 0.86 DHODH (0.55) HDAC8KDM4EALDH1A1KMOERCC5
SCHEMBL18376133 0.84 CFD (0.64) HDAC8KDM4EALDH1A1KMOERCC5
SCHEMBL77384 0.83 ALDH1A1 (0.76) HDAC8KDM4EALDH1A1AOC2
SCHEMBL10363097 0.82 HDAC8 (1.00) HDAC8KDM4EKMOERCC5FEN1
SCHEMBL1706875 0.82 NPC1 (0.67) HDAC8KDM4EALDH1A1ERCC5FEN1
SCHEMBL5951312 0.81 HDAC8 (0.66) HDAC8ALDH1A1KMOERCC5FEN1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559455-B2 Compound as a UBR box domain ligand AUTOTAC INC. (KR) 2026-02-24 US disclosed
US-11945797-B2 1-cyano-pyrrolidine derivatives as dub inhibitors MISSION THERAPEUTICS LIMITED (GB) 2024-04-02 US disclosed
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND AUTOTAC INC. (KR) 2023-06-08 US disclosed
WO-2023074936-A1 BIFUNCTIONAL COMPOUND USING UBR BOX DOMAIN-BINDING LIGAND 주식회사 오토텍바이오 2023-05-04 WO disclosed
EP-4144722-A1 COMPOUND AS UBR BOX DOMAIN LIGAND Autotac Inc. (KR) 2023-03-08 EP disclosed
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2022-06-09 US disclosed
US-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors MISSION THERAPEUTICS LIMITED (GB) 2022-06-07 US disclosed
EP-3433246-B1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-05-04 EP disclosed
CN-108884068-B 1-cyano-pyrrolidine derivatives as DUB inhibitors 特殊治疗有限公司 2021-02-26 CN disclosed
CN-108212094-B Double-pyrazole functionalized SBA-15 mesoporous material and preparation method and application thereof 上海海关工业品与原材料检测技术中心 2020-11-06 CN disclosed
US-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 US disclosed
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-03-19 US disclosed
US-20090068180-A1 COMPOSITIONS AND METHODS FOR TREATING IMMUNOLOGICAL AND INFLAMMATORY DISEASES AND DISORDERS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2009-03-12 US disclosed
WO-2009032972-A1 COMPOSITIONS AND METHODS FOR TREATING IMMUNOLOGICAL AND INFLAMMATORY DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
EP-2010501-A2 IMIDAZOLE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
US-7459475-B2 Substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2008-12-02 US disclosed
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2008-07-17 US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 US disclosed
WO-2007100617-A2 IMIDAZOLE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2007-09-07 WO disclosed
US-20070208063-A1 Imidazole-based compounds, compositions comprising them and methods of their use OXFORD FINANCE LLC, AS COLLATERAL AGENT 2007-09-06 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 (9 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-20090068180-A1 COMPOSITIONS AND METHODS FOR TREATING IMMUNOLOGICAL AND INFLAMMATORY DISEASES AND DISORDERS ASAH2, SGMS1, SMPD1 HDAC8 1104/4885KDM4E 2549/4885ALDH1A1 1316/4885
US-20070208063-A1 Imidazole-based compounds, compositions comprising them and methods of their use TPMT, INMT, NFKBIA HDAC8 152/4885KDM4E 2146/4885ALDH1A1 808/4885
US-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors USP30, USP28, USP1 HDAC8 1633/4885KDM4E 298/4885ALDH1A1 719/4885
US-20090074890-A1 Substituted Triazoles as Sodium Channel Blockers TRPV1, SCN3A, SCN5A HDAC8 473/4885KDM4E 2395/4885ALDH1A1 1306/4885
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B HDAC8 426/4885KDM4E 2772/4885ALDH1A1 903/4885
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS USP30, USP28, USP1 HDAC8 1633/4885KDM4E 298/4885ALDH1A1 719/4885
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND UBR4, UBQLN2, UBTF HDAC8 1666/4885KDM4E 1340/4885ALDH1A1 2317/4885
US-11945797-B2 1-cyano-pyrrolidine derivatives as dub inhibitors USP30, USP28, USP1 HDAC8 1633/4885KDM4E 298/4885ALDH1A1 719/4885
US-12559455-B2 Compound as a UBR box domain ligand UBR4, UBTF, UBQLN1 HDAC8 606/4885KDM4E 707/4885ALDH1A1 1486/4885

“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.