SCHEMBL6984293

SCHEMBL6984293

CC(C)c1cc(C(C)(C)C)cs1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL22019700 0.83 ALDH1A1 (0.33) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL22693486 0.80 KDM4E (0.35) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL10211697 0.80 ACHE (0.31) GABRA1GABRB2
SCHEMBL20445177 0.73
SCHEMBL19355716 0.72 ALDH1A1 (0.31) ALDH1A1LMNAHPGDSMN1; SMN2GAA
SCHEMBL22856786 0.70
SCHEMBL786450 0.69 ALDH1A1 (0.34) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL9967707 0.69
SCHEMBL9918172 0.69
SCHEMBL10153919 0.69 DAO (0.38) ALDH1A1HPGDPOLBGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639351-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. 2023-05-02 US disclosed
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
US-10752623-B2 Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors XENON PHARMACEUTICALS INC. (CA) 2020-08-25 US disclosed
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2020-05-26 US disclosed
WO-2020102098-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20200071313-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 US disclosed
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2019-03-07 US disclosed
US-20170334887-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-11-23 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8633184-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA N.V. (BE) 2014-01-21 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 US disclosed
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2010-05-13 US disclosed
US-20100048555-A1 IMIDAZOTHIAZOLE DERIVATIVES AS MARK INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2010-02-25 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRUENENTHAL GMBH (DE) 2009-01-01 US disclosed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 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 (13 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-20200071313-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS SCN1A, SCN2A, SCN2B ALDH1A1 3021/4885LMNA 1432/4885MAPT 147/4885
US-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR ALDH1A1 4808/4885LMNA 3141/4885MAPT 4303/4885
US-20090005399-A1 Substituted Imidazo[2,1-b]thiazole Compounds and Uses Thereof GRM5, GRIK5, GRM1 ALDH1A1 414/4885LMNA 4522/4885MAPT 1283/4885
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL PPARD, PPARG, PPARA ALDH1A1 670/4885LMNA 2040/4885MAPT 2521/4885
US-20170334887-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 ALDH1A1 1629/4885LMNA 4548/4885MAPT 1161/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B ALDH1A1 1486/4885LMNA 4231/4885MAPT 709/4885
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS ALDH1A1 2777/4885LMNA 627/4885MAPT 707/4885
US-11639351-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents SCN1A, SCN2A, SCN2B ALDH1A1 2781/4885LMNA 1725/4885MAPT 195/4885
US-10752623-B2 Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors SCN1A, SCN2A, SCN2B ALDH1A1 3021/4885LMNA 1432/4885MAPT 147/4885
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1972/4885LMNA 1699/4885MAPT 2020/4885
US-20100048555-A1 IMIDAZOTHIAZOLE DERIVATIVES AS MARK INHIBITORS MAPT, MARK1, MARK4 ALDH1A1 2739/4885LMNA 2088/4885MAPT 1/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B ALDH1A1 1486/4885LMNA 4231/4885MAPT 709/4885

“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.