Trigonellamide

Trigonellamide

SCHEMBL5145685

C[n+]1cccc(C(N)=O)c1.[Cl-]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Trigonellamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.42
NNMT P40261 1/20 0.96
USP2 O75604 1/20 0.63
APOBEC3A P31941 2/20 0.56
APOBEC3G Q9HC16 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.46
PARP1 P09874 2/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSP90AA1 P07900 3/20 0.46
MEN1 O00255 1/20 0.43

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
Trigonellamide SCHEMBL132244 0.98 NNMT (1.00) NNMTUSP2APOBEC3AAPOBEC3GL3MBTL1
Trigonellamide SCHEMBL4082736 0.96 NNMT (0.96) NNMTUSP2APOBEC3AAPOBEC3GL3MBTL1
Trigonellamide SCHEMBL15903434 0.96 NNMT (0.96) NNMTUSP2APOBEC3AAPOBEC3GL3MBTL1
Trigonellamide SCHEMBL16295415 0.89 NNMT (0.83) NNMTUSP2APOBEC3AAPOBEC3GL3MBTL1
Hydrochloric Acid SCHEMBL2293932 0.82 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GTSHR
Trigonelline SCHEMBL5310723 0.82 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GTSHR
Trigonelline SCHEMBL679317 0.79 NNMT (0.68) NNMTUSP2APOBEC3AAPOBEC3GTSHR
SCHEMBL700182 0.79 NNMT (0.68) NNMTUSP2APOBEC3AAPOBEC3GTSHR
Trigonelline SCHEMBL29581532 0.79 NNMT (0.68) NNMTUSP2APOBEC3AAPOBEC3GTSHR
SCHEMBL9626201 0.78 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008041-B1 3-CARBAMOYL-1-METHYLPYRIDINIUM NITRITE, PROCESS FOR ITS PREPARATION AND ITS USE UNIV JAGIELLONSKI (PL) 2019-09-18 EP claimed
EP-3008041-A1 3-CARBAMOYL-1 -METHYLPYRIDINIUM NITRITE, PROCESS FOR ITS PREPARATION AND ITS USE Uniwersytet Jagiellonski (PL) 2016-04-20 EP claimed
WO-2014200373-A1 3-CARBAMOYL-1 -METHYLPYRIDINIUM NITRITE, PROCESS FOR ITS PREPARATION AND ITS USE Uniwersytet Jagielloński (PL) 2014-12-18 WO claimed
EP-4370092-A2 A NON-THERAPEUTIC COSMETIC METHOD FOR REDUCING WRINKLES ON A SKIN SURFACE L'OREAL (FR) 2024-05-22 EP disclosed
WO-2023094277-A1 COSMETIC WATER-IN-OIL EMULSION COMPRISING A SPECIFIC WATER-SOLUBLE UV SCREENING AGENT, A BASE, A VOLATILE OIL, A HYDROPHOBIC FILM-FORMING POLYMER, A POLYOXYALKYLENATED LINEAR POLYDIMETHYLMETHYLSILOXANE AND A VITAMIN B3 L'OREAL (FR) 2023-06-01 WO disclosed
WO-2023286879-A2 A NON-THERAPEUTIC COSMETIC METHOD FOR REDUCING WRINKLES ON A SKIN SURFACE, A KIT FOR IMPLEMENTING THE METHOD, AND A METHOD OF USING A KIT L'OREAL (FR) 2023-01-19 WO disclosed
US-11376205-B2 Water-in-oil emulsion containing baicalin, a xanthine base, a vitamin B3, and a polyvalent metal cation salt L'OREAL (FR) 2022-07-05 US disclosed
EP-3558216-B1 WATER-IN-OIL EMULSION CONTAINING BAICALIN, A XANTHINE BASE, A VITAMIN B3, AND A POLYVALENT METAL CATION SALT L'ORÉAL (FR) 2020-09-16 EP disclosed
EP-3558216-A1 WATER-IN-OIL EMULSION CONTAINING BAICALIN, A XANTHINE BASE, A VITAMIN B3, AND A POLYVALENT METAL CATION SALT L'Oréal (FR) 2019-10-30 EP disclosed
EP-3008041-B1 3-CARBAMOYL-1-METHYLPYRIDINIUM NITRITE, PROCESS FOR ITS PREPARATION AND ITS USE UNIV JAGIELLONSKI (PL) 2019-09-18 EP disclosed
WO-2019115289-A1 COMPOSITION OF GEL/GEL TYPE BASED ON PIGMENTS, AT LEAST ONE SATURATED LINEAR C3-C8 DIHYDROXYALKANE AND SALICYLIC ACID IN FREE FORM L'OREAL (FR) 2019-06-20 WO disclosed
CN-103827293-A Compositions and methods for enhancing bioenergetic status in female germ cells GEN HOSPITAL CORP 2014-05-28 CN disclosed
EP-2674395-A1 PROCESS FOR PRODUCTION OF FLUOROSULFONYLIMIDE AMMONIUM SALT Nippon Soda Co., Ltd. (JP) 2013-12-18 EP disclosed
US-20130331609-A1 PRODUCTION PROCESS FOR FLUOROSULFONYLIMIDE AMMONIUM SALT NIPPON SODA CO., LTD. (JP) 2013-12-12 US disclosed
US-20130323154-A1 PROCESS FOR PRODUCTION OF FLUOROSULFONYLIMIDE AMMONIUM SALT NIPPON SODA CO., LTD. (JP) 2013-12-05 US disclosed
EP-2660196-A1 MANUFACTURING METHOD FOR FLUOROSULFONYLIMIDE AMMONIUM SALT Nippon Soda Co., Ltd. (JP) 2013-11-06 EP disclosed
US-7273953-B2 Process for producing arylamine FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-09-25 US disclosed
US-20060069287-A1 Process for producing arylamine FUJIFILM FINECHEMICALS CO., LTD. (JP) 2006-03-30 US disclosed
US-6121386-A A SURFACE COATING TO IMPROVE OLEFIN RESIN FILMS COATABILITY E.G., ADHESION, COMPRISING A BLEND OF EPOXIDIZED BLOCK COPOLYMER OF AN AROMATIC VINYL COMPOUND AND A CONJUGATED DIENE, AND A POLYMER WITH A REACTIVE FUNCTIONAL GROUP DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-19 US disclosed
EP-0879861-A1 RESIN COMPOSITIONS FOR COATING DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-25 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 (4 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-20130331609-A1 PRODUCTION PROCESS FOR FLUOROSULFONYLIMIDE AMMONIUM SALT NPEPPS, DNPEP, FOS ACHE 3951/4885NNMT 801/4885USP2 3557/4885
US-11376205-B2 Water-in-oil emulsion containing baicalin, a xanthine base, a vitamin B3, and a polyvalent metal cation salt KRT18, BROX, S100B ACHE 2978/4885NNMT 2040/4885USP2 4764/4885
US-20060069287-A1 Process for producing arylamine TYR, AADAC, AOC2 ACHE 1678/4885NNMT 65/4885USP2 1496/4885
US-20130323154-A1 PROCESS FOR PRODUCTION OF FLUOROSULFONYLIMIDE AMMONIUM SALT ASNS, NHERF1, NAAA ACHE 2007/4885NNMT 296/4885USP2 2956/4885

“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.