Isopropyl Isonicotinate

Isopropyl Isonicotinate

SCHEMBL552612

CC(C)OC(=O)c1ccncc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.62
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
CA7 P43166 4/20 0.62
CA9 Q16790 4/20 0.62
CA14 Q9ULX7 4/20 0.62
PDCD1 Q15116 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
ALDH1A1 P00352 4/20 0.54
MAPT P10636 1/20 0.54
HSD17B10 Q99714 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
JMJD6 Q6NYC1 1/20 0.49
NPC1 O15118 2/20 0.49

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
Isopropyl Isonicotinate SCHEMBL30827702 0.98 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL15953934 0.88 HSD17B10 (0.53) CA12CA1CA2CA7CA9
SCHEMBL19076164 0.86 SNCA (0.61) CA12CA1CA2CA7CA9
SCHEMBL25267929 0.84 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL701832 0.84 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL3015986 0.84 HSD17B10 (0.50) CA12CA1CA2CA7CA9
SCHEMBL3028741 0.84 HSD17B10 (0.50) CA12CA1CA2CA7CA9
SCHEMBL3015987 0.84 HSD17B10 (0.50) CA12CA1CA2CA7CA9
SCHEMBL14919007 0.82 LMNA (0.50) CA12CA1CA2CA7CA9
SCHEMBL28761675 0.82 CA12 (0.79) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372369-A Preparation method of 2-formyl-4-fluorobenzeneboronic acid pinacol ester 山东省药学科学院 2021-09-10 CN claimed
CN-113336780-A Preparation method of 2-formyl-4- (4-cyanophenoxy) phenylboronic acid pinacol ester 山东省药学科学院 2021-09-03 CN claimed
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN claimed
CN-103124733-B Herbicidal isoxazolo [5,4-b ] pyridines BASF SE (DE) 2016-03-30 CN claimed
EP-1691610-B1 METHOD FOR MODIFYING THE BEHAVIOUR OF THRIPS WITH PYRIDINE DERIVATIVES NZ INST PLANT & FOOD RES LTD (NZ) 2016-03-09 EP claimed
US-8962003-B2 Insect behaviour modifying compounds THE NEW ZEALAND INSTITUTE FOR PLANT AND FOOD RESEARCH LIMITED (NZ) 2015-02-24 US claimed
CN-103124733-A Herbicidal isoxazolo [5,4-b ] pyridines BASF SE 2013-05-29 CN claimed
US-20080241205-A1 Insect Behaviour Modifying Compounds THE NEW ZEALAND INSTITUTE FOR PLANT AND FOOD RESEARCH LIMITED (NZ) 2008-10-02 US claimed
EP-1691610-A1 INSECT BEHAVIOUR MODIFYING COMPOUNDS New Zealand Institute for Crop & Food Research Limited and Plant Research International B.V. (NL) 2006-08-23 EP claimed
WO-2005046330-A1 INSECT BEHAVIOUR MODIFYING COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2005-05-26 WO claimed
US-20250147039-A1 Compounds for complexation of rare earth elements and/or s-, p-, d- block metals, their coordination compounds, peptide conjugates, method of their preparation and use thereof Ustav Organicke Chemie A Biochemie AV CR v.v.i. (CZ) 2025-05-08 US disclosed
EP-4377308-B1 COMPOUNDS FOR COMPLEXATION OF RARE EARTH ELEMENTS AND/OR S-, P-, D- BLOCK METALS, THEIR COORDINATION COMPOUNDS, PEPTIDE CONJUGATES, METHOD OF THEIR PREPARATION AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-11-20 EP disclosed
CN-118215658-A Compounds for complexing rare earth elements and/or s-, p-, d-domain metals, coordination compounds thereof, peptide conjugates, methods for their preparation and use thereof 有机化学和生物化学研究所 2024-06-18 CN disclosed
EP-4377308-A1 COMPOUNDS FOR COMPLEXATION OF RARE EARTH ELEMENTS AND/OR S-, P-, D- BLOCK METALS, THEIR COORDINATION COMPOUNDS, PEPTIDE CONJUGATES, METHOD OF THEIR PREPARATION AND USE THEREOF Ustav organicke chemie a biochemie AV CR, v.v.i. (CZ) 2024-06-05 EP disclosed
US-11919860-B1 1-2(-(substituted phenyl)-2-oxoethyl)-4-(isopropoxycarbonyl)pyridin-1-ium bromides as anti-tubercular agents King Faisal University (SA) 2024-03-05 US disclosed
US-20070014953-A1 Webs with synergists that promote or preserve the desirable color of meat CURWOOD, INC. (US) 2007-01-18 US disclosed
US-20060246242-A1 Packaging articles, films and methods that promote or preserve the desirable color of meat BEMIS COMPANY, INC. 2006-11-02 US disclosed
EP-1691610-A1 INSECT BEHAVIOUR MODIFYING COMPOUNDS New Zealand Institute for Crop & Food Research Limited and Plant Research International B.V. (NL) 2006-08-23 EP disclosed
WO-2005046330-A1 INSECT BEHAVIOUR MODIFYING COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2005-05-26 WO disclosed
US-4128651-A Bis-quaternary pyridinium-2-aldoxime salts and a process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-12-05 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-20080241205-A1 Insect Behaviour Modifying Compounds PNMT, ACHE, THOP1 CA12 2120/4885CA1 2833/4885CA2 3367/4885
US-11919860-B1 1-2(-(substituted phenyl)-2-oxoethyl)-4-(isopropoxycarbonyl)pyridin-1-ium bromides as anti-tubercular agents PGM2, UMPS, POLM CA12 4835/4885CA1 4880/4885CA2 4531/4885
US-20250147039-A1 Compounds for complexation of rare earth elements and/or s-, p-, d- block metals, their coordination compounds, peptide conjugates, method of their preparation and use thereof SCLY, CD79B, CSTB CA12 132/4885CA1 158/4885CA2 1017/4885

“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.