Methyl Isonicotinate

Methyl Isonicotinate

SCHEMBL180574

COC(=O)c1ccncc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
TSHR P16473 1/20 0.60
LMNA P02545 1/20 0.60
CYP2C9 P11712 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 4/20 0.59
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
CA12 O43570 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
HTT P42858 1/20 0.53
NAPRT Q6XQN6 1/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 3/20 0.52
KDM6B O15054 1/20 0.52

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
Methyl Isonicotinate SCHEMBL820082 1.00 CYP1A2 (0.60) CYP1A2CYP2C19TSHRLMNACYP2C9
Methyl Isonicotinate SCHEMBL9213497 0.98 LMNA (0.58) CYP1A2CYP2C19TSHRLMNACYP2C9
Methyl Isonicotinate SCHEMBL29827431 0.98 LMNA (0.58) CYP1A2CYP2C19TSHRLMNACYP2C9
Methyl Isonicotinate SCHEMBL9217491 0.98 LMNA (0.58) CYP1A2CYP2C19TSHRLMNACYP2C9
Methyl Isonicotinate SCHEMBL28185382 0.88 LMNA (0.50) CYP1A2CYP2C19TSHRLMNACYP2C9
SCHEMBL741537 0.87 HDAC1 (0.58) TSHRALDH1A1CA1CA2TDP1
SCHEMBL13019478 0.87 HDAC1 (0.58) TSHRALDH1A1CA1CA2TDP1
Methyl Isonicotinate SCHEMBL28162148 0.87 TSHR (0.52) CYP1A2CYP2C19TSHRLMNACYP2C9
Methyl Isonicotinate SCHEMBL28213363 0.85 ALDH1A1 (0.50) CYP1A2CYP2C19TSHRLMNACYP2C9
SCHEMBL23999861 0.84 KMT2A (0.57) TSHRSMN1; SMN2ALDH1A1CA1CA2

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 1923 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648744-A1 CONTROLLED RELEASE SEMI-SOLID EMULSION FORMULATIONS OF SEMIOCHEMICALS Pheromones Biotech LLP (IN) 2025-11-19 EP claimed
US-20250161201-A1 COSMETIC COMPOSITION THE BOOTS COMPANY PLC (GB) 2025-05-22 US claimed
CN-119330960-A Novel selenium-rhodamine photosensitizer and synthesis method thereof 山西大学 2025-01-21 CN claimed
EP-4479146-A1 COSMETIC COMPOSITION The Boots Company PLC (GB) 2024-12-25 EP claimed
CN-115010900-B Azobenzene liquid crystal elastomer with photo-thermal double response and reversible deformation and preparation method thereof 广东石油化工学院 2024-10-15 CN claimed
CN-118745147-A Cobalt-catalyzed method for preparing isonicotinic acid compound by taking carbon dioxide as carboxyl source 南开大学 2024-10-08 CN claimed
WO-2024150040-A1 CONTROLLED RELEASE SEMI-SOLID EMULSION FORMULATIONS OF SEMIOCHEMICALS PHEROMONES BIOTECH LLP (IN) 2024-07-18 WO claimed
US-20240237642-A1 CONTROLLED RELEASE SEMI-SOLID EMULSION FORMULATIONS OF SEMIOCHEMICALS PHEROMONES BIOTECH LLP (IN) 2024-07-18 US claimed
CN-118005944-A Antibacterial metal organic framework composite material and preparation method and application thereof 中国科学院赣江创新研究院 2024-05-10 CN claimed
CN-114773262-B Synthesis method of 2-cyano-4-pyridine carboxylic acid methyl ester 兄弟科技股份有限公司 2024-05-07 CN claimed
CN-1207095-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
WO-1998022468-A1 PSORALEN SENSITIZERS FOR VIRAL INACTIVATION OHIO STATE RESEARCH FOUNDATION (US) 1998-05-28 WO claimed
EP-0333427-A1 Heterocyclic derivatives Smithkline Beecham Farmaceutici S.p.A. (IT) 1989-09-20 EP claimed
US-4761467-A REACTING METHANOL, CARBON MONOXIDE AND OXYGEN TO PRODUCE DIMETHYL CARBONATE WITH A CUPRIC METHOXYCHLORIDE-PYRIDINE COMPOUND CATALYST TEXACO INC. (US) 1988-08-02 US claimed
US-4625021-A High yield process for preparing beta-lactam antibiotics having a high purity degree ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.P.A. (IT) 1986-11-25 US claimed
EP-0095341-B1 PENICILLANIC ACID DIOXIDE PRODRUG PFIZER INC. (US) 1986-02-26 EP claimed
EP-0095341-A1 Penicillanic acid dioxide prodrug PFIZER INC. (US) 1983-11-30 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20250161201-A1 COSMETIC COMPOSITION CYP19A1, SHBG, HSD17B11 CYP1A2 354/4885CYP2C19 110/4885TSHR 2623/4885

“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.