SCHEMBL960674

SCHEMBL960674

CC(C)(CC(N)=O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 SCHEMBL3350621 0.97 KDM4E (0.38) KDM4ECYP2C19LMNAALOX15BLM
SCHEMBL9842065 0.80 LMNA (0.37) KDM4ECYP2C19LMNAALOX15BLM
SCHEMBL1699135 0.80 TSHR (0.42) KDM4ECYP2C19LMNAALOX15BLM
SCHEMBL3465587 0.80 LMNA (0.37) KDM4ECYP2C19LMNAALOX15BLM
SCHEMBL13544793 0.80 LMNA (0.38) KDM4ECYP2C19LMNAALOX15BLM
SCHEMBL804144 0.80 KDM4E (0.54) KDM4ECYP2C19ALDH1A1TDP1HMGCR
SCHEMBL24709299 0.79 KDM4E (0.33) KDM4ECYP2C19LMNAALOX15BLM
SCHEMBL5069470 0.78 KDM4E (0.31) KDM4ECYP2C19LMNAALOX15BLM
SCHEMBL9688090 0.76 TDP1 (0.43) KDM4ELMNAALDH1A1HSD17B10TDP1
SCHEMBL3915051 0.76 LMNA (0.35) KDM4ECYP2C19LMNAALOX15BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698992-B 2-cyanoisoindoline derivatives for the treatment of cancer 特殊治疗有限公司 2022-04-19 CN claimed
CN-109803948-B Warming sensation compound 高砂香料工业株式会社 2022-03-01 CN claimed
CN-108698992-A 2- cyano isoindoline derivatives for treating cancer 特殊治疗有限公司 2018-10-23 CN claimed
US-20170158684-A1 NOVEL COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-06-08 US claimed
CN-106262580-A A kind of coolant agent N (4 methoxyphenyl) using method to menthyl 3 carboxylic acid amides 安徽丰乐香料有限责任公司 2017-01-04 CN claimed
CN-103787905-B A kind of L-menthyl-N, the new synthetic method of N-dimethylsuccinic acid amides Anhui Fengle Perfume Co., Ltd. (CN) 2016-04-20 CN claimed
CN-105121433-A Novel compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient KOREA RES INST CHEM TECH 2015-12-02 CN claimed
US-20150336920-A1 NOVEL COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-26 US claimed
CN-103501780-B Benzofuran-piperidine compounds HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 CN claimed
EP-2933254-A1 NOVEL COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-10-21 EP claimed
CN-103501780-A Novel benzofurane-piperidine compounds HOFFMANN LA ROCHE 2014-01-08 CN claimed
CN-101747455-B Supported main catalyst for olefin polymerization and preparation method thereof PETROCHINA CO LTD 2012-03-07 CN claimed
EP-2139894-A1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7) MODULATORS AstraZeneca AB (SE) 2010-01-06 EP claimed
WO-2008114006-A1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7) MODULATORS ASTRAZENECA AB (SE) 2008-09-25 WO claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
CN-1116192-A Composition and production method of special spraying fertilizer for crops SONG KAIQUAN (CN) 1996-02-07 CN claimed
CN-116322326-A Polyurea/polyurethane microcapsules 西姆莱斯股份公司 2023-06-23 CN disclosed
EP-0062161-B1 SYNTHESIS OF AMIDES USING CARBAMIC-ACID SALTS UNION CARBIDE CORPORATION (US) 1984-08-08 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 (3 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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 KDM4E 4405/4885CYP2C19 4273/4885LMNA 294/4885
US-20170158684-A1 NOVEL COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT RNASE1, HTRA1, IAPP KDM4E 4532/4885CYP2C19 2342/4885LMNA 3186/4885
US-20150336920-A1 NOVEL COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF VIRAL DISEASES CONTAINING SAME AS ACTIVE INGREDIENT RNASE1, HTRA1, IAPP KDM4E 4532/4885CYP2C19 2342/4885LMNA 3186/4885

“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.