SCHEMBL20753259

SCHEMBL20753259

O=C(O)CC[n+]1ccc(-c2ncccn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
ESR1 P03372 1/20 0.33
TBXA2R P21731 2/20 0.32
SHMT2 P34897 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
RAB9A P51151 1/20 0.32
HIF1A Q16665 1/20 0.32
NR4A2 P43354 1/20 0.32
TBXAS1 P24557 3/20 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
Hydrochloric Acid SCHEMBL20743429 1.00 CYP2A6 (0.35) CYP2A6ALDH1A1CTNNB1WNT3AKDM4E
SCHEMBL30465888 1.00 CYP2A6 (0.35) CYP2A6ALDH1A1CTNNB1WNT3AKDM4E
Bromide SCHEMBL20743565 0.99 KDM4E (0.36) CYP2A6ALDH1A1CTNNB1WNT3AKDM4E
Sulfuric Acid SCHEMBL28850618 0.95 TSHR (0.33) CYP2A6ALDH1A1CTNNB1WNT3AKDM4E
Sulfuric Acid SCHEMBL28850656 0.92 TSHR (0.32) CYP2A6ALDH1A1CTNNB1WNT3AKDM4E
SCHEMBL24001087 0.92 TBXA2R (0.36) TBXA2RSMN1; SMN2TBXAS1
SCHEMBL20753383 0.90 TBXA2R (0.38) TBXA2RSMN1; SMN2TBXAS1
Trifluoroacetic Acid SCHEMBL20744312 0.90 ESR1 (0.30) ESR1
SCHEMBL22345285 0.87 ALDH1A1 (0.36) CYP2A6ALDH1A1CTNNB1WNT3AKDM4E
Hydrochloric Acid SCHEMBL22345329 0.87 ALDH1A1 (0.36) CYP2A6ALDH1A1CTNNB1WNT3AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098020-A1 HERBICIDAL PYRIMIDINYLMETHYL-SUBSTITUTED 1,2,4-TRIAZOLES FMC CORP (US) 2026-04-09 US disclosed
EP-4683908-A1 SUBSTITUTED OXAZOLIDINONES AND IMIDAZOLINONES AS HERBICIDES FMC Corporation (US) 2026-01-28 EP disclosed
WO-2025111184-A1 SUBSTITUTED TETRAHYDROQUINOLINE AND TETRAHYDROQUINOXALINE HERBICIDES FMC CORPORATION (US) 2025-05-30 WO disclosed
EP-4554941-A1 HERBICIDAL BENZOXAZINES FMC Corporation (US) 2025-05-21 EP disclosed
WO-2024197109-A1 SUBSTITUTED OXAZOLIDINONES AND IMIDAZOLINONES AS HERBICIDES FMC CORPORATION (US) 2024-09-26 WO disclosed
US-20240239755-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-07-18 US disclosed
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US disclosed
CN-118159536-A Substituted 1,2, 4-thiadiazolyl nicotinamide, salts or N-oxides thereof and their use as herbicidal active substances 拜耳公司 2024-06-07 CN disclosed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN disclosed
US-20240174618-A1 SUBSTITUTED (2-HETEROARYLOXYPHENYL)SULFONATES, SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
CN-113412054-A Herbicidal composition 先正达农作物保护股份公司 2021-09-17 CN disclosed
WO-2021148431-A1 CHEMICAL PROCESS FOR THE PREPARATION OF HERBICIDAL PYRIDAZINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-07-29 WO disclosed
WO-2020164971-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164925-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164920-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164923-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164922-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164924-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
CN-111032640-A Herbicidal compounds 先正达参股股份有限公司 2020-04-17 CN disclosed
WO-2019034757-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-21 WO 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-20240239755-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES PNPO, WEE1, PDXK CYP2A6 51/4885ALDH1A1 428/4885CTNNB1 1979/4885
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES HPD, DDT, PPOX CYP2A6 350/4885ALDH1A1 315/4885CTNNB1 4335/4885
US-20240174618-A1 SUBSTITUTED (2-HETEROARYLOXYPHENYL)SULFONATES, SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS STS, GMDS, AGPS CYP2A6 78/4885ALDH1A1 1125/4885CTNNB1 3640/4885
US-20260098020-A1 HERBICIDAL PYRIMIDINYLMETHYL-SUBSTITUTED 1,2,4-TRIAZOLES CBR3, CBR1, CNPY3 CYP2A6 186/4885ALDH1A1 536/4885CTNNB1 3052/4885

“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.