SCHEMBL3094877

SCHEMBL3094877

Cc1nc(C)c(=O)[nH]c1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.42
CASP6 P55212 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 3/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 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
SCHEMBL21954984 0.77 KDM4E (0.35) NSD2CASP6L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3485848 0.74 L3MBTL1 (0.45) NSD2CASP6L3MBTL1ALDH1A1GAA
SCHEMBL16631736 0.74 NSD2 (0.39) NSD2CASP6L3MBTL1ALDH1A1GAA
SCHEMBL12621290 0.74 HPGD (0.33) L3MBTL1ALDH1A1HPGD
SCHEMBL27256322 0.74 CAPN1 (0.33) L3MBTL1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL23042886 0.71 PKM (0.35) L3MBTL1ALDH1A1GAAKDM4EHPGD
SCHEMBL8507580 0.71 PDE3B (0.36) NSD2CASP6ALDH1A1POLBKDM4E
SCHEMBL10926121 0.70 NSD2 (0.41) NSD2CASP6L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13007576 0.69 SMN1; SMN2 (0.40) NSD2CASP6L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL18081737 0.69 NSD2 (0.36) NSD2CASP6L3MBTL1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859643-A Synthetic method of 2-ethyl-3,5,6-trimethyl pyrazine 平光制药股份有限公司 2016-08-17 CN claimed
CN-118844594-A Sweetener and flavor compositions, methods of making and methods of using the same 伊比西(北京)植物药物技术有限公司 2024-10-29 CN disclosed
US-12048316-B2 Sweetener and flavor compositions, methods of making and methods of use thereof EPC NATURAL PRODUCTS CO., LTD. (CN) 2024-07-30 US disclosed
US-12029228-B2 Sweetener and flavor compositions, methods of making and methods of use thereof EPC Natural Products Co., Ltd (CN) 2024-07-09 US disclosed
US-11985994-B2 Sweetener and flavor compositions, methods of making and methods of use thereof EPC Natural Products Co., Ltd (CN) 2024-05-21 US disclosed
US-11849742-B2 Tasteful natural sweetener and flavor EPC NATURAL PRODUCTS CO., LTD. (CN) 2023-12-26 US disclosed
US-11793218-B2 Sweetener and flavor compositions, methods of making and methods of use thereof EPC NATURAL PRODUCTS CO., LTD. (CN) 2023-10-24 US disclosed
US-11751593-B2 Sweetener and flavor compositions, methods of making and methods of use thereof EPC Natural Products Co., Ltd (CN) 2023-09-12 US disclosed
CN-112218542-B Sweetener and flavor compositions, methods of making and methods of using the same 伊比西(北京)植物药物技术有限公司 2023-08-25 CN disclosed
EP-4223146-A1 SWEETENER AND FLAVOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE THEREOF EPC Natural Products Co., Ltd. (CN) 2023-08-09 EP disclosed
US-20120328561-A1 METHOD FOR TREATMENT OF INFLAMMATORY GASTROINTESTINAL DISORDERS NATIONAL INSTITUTE OF AGROBIOLOGICAL SCIENCES (JP) 2012-12-27 US disclosed
US-20100234385-A1 Compsition Containing Biopterin and Method for Using The Same KANEKA CORPORATION (JP) 2010-09-16 US disclosed
EP-2123266-A1 CANCER THERAPEUTIC AGENT AND ANTI-CARCINOGENIC AGENT Kaneka Corporation (JP) 2009-11-25 EP disclosed
US-20090246186-A1 AGENT FOR IMPROVING NERVOUS SYSTEM CELL FUNCTIONS KANEKA CORPORATION (JP) 2009-10-01 US disclosed
EP-2087887-A1 HIGHLY ABSORBABLE COMPOSITION FOR ORAL ADMINISTRATION CONTAINING OXIDIZED COENZYME Q10 Kaneka Corporation (JP) 2009-08-12 EP disclosed
EP-2005951-A9 AGENT FOR IMPROVING NERVOUS SYSTEM CELL FUNCTIONS Kaneka Corporation (JP) 2009-07-29 EP disclosed
EP-2005951-A2 AGENT FOR IMPROVING NERVOUS SYSTEM CELL FUNCTIONS Kaneka Corporation (JP) 2008-12-24 EP disclosed
US-20080145411-A1 COMPOSITION OF HIGH ABSORBABILITY FOR ORAL ADMINISTRATION COMPRISING OXIDIZED COENZYME Q10 KANEKA CORPORATION (JP) 2008-06-19 US disclosed
US-20080138326-A1 Method for cancer treatment, carcinogenesis suppression or mitigation of adverse reactions of anticancer agents KANEKA CORPORATION (JP) 2008-06-12 US disclosed
US-5962662-A Method for producing a flavorful and aromatic composition for use in smoking articles R.J. REYNOLDS TOBACCO COMPANY (US) 1999-10-05 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 (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-20080138326-A1 Method for cancer treatment, carcinogenesis suppression or mitigation of adverse reactions of anticancer agents NQO1, SLC19A1, NDUFA6 NSD2 1570/4885CASP6 819/4885L3MBTL1 3168/4885
US-20080145411-A1 COMPOSITION OF HIGH ABSORBABILITY FOR ORAL ADMINISTRATION COMPRISING OXIDIZED COENZYME Q10 PLIN5, SLC25A20, PLIN3 NSD2 1597/4885CASP6 2555/4885L3MBTL1 2721/4885
US-20090246186-A1 AGENT FOR IMPROVING NERVOUS SYSTEM CELL FUNCTIONS NLN, BDNF, ACHE NSD2 3843/4885CASP6 697/4885L3MBTL1 3905/4885

“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.