SCHEMBL99339

SCHEMBL99339

c1ccc(COn2cccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP19A1 P11511 2/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.38
DHFR P00374 2/20 0.36
ALKBH1 Q13686 2/20 0.36
LTA4H P09960 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL17713768 0.81 IDO1 (0.44) IDO1AGXTALKBH1LTA4H
SCHEMBL28241502 0.80 IDO1 (0.46) IDO1
SCHEMBL27511638 0.78 ALDH1A1 (0.40) ALDH1A1IDO1AGXTDHFR
SCHEMBL28863469 0.76 IDO1 (0.53) ALDH1A1IDO1
SCHEMBL28953880 0.75 IDO1 (0.46) TSHRALDH1A1IDO1
SCHEMBL27485973 0.74 TSHR (0.39) TSHRALDH1A1IDO1AGXTDHFR
SCHEMBL28863350 0.72 IDO1 (0.50) ALDH1A1IDO1
SCHEMBL875660 0.70 TSHR (0.34) TSHR
SCHEMBL411055 0.70 CYP1A2 (0.50) TSHRALDH1A1
SCHEMBL27693159 0.70 MAPK1 (0.46) TSHRALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461158-B Herbicidal mixtures comprising 2- [ (2, 4-dichlorophenyl) methyl ] -4, 4-dimethyl-3-isoxazolidone, topramezone and mefenpyr 拜耳公司 2021-12-10 CN claimed
EP-4433468-A1 COMPOSITIONS AND METHODS FOR PRESERVING AND/OR RESTORING NEURAL FUNCTION The Regents of the University of California (US) 2024-09-25 EP disclosed
CN-118206466-A N1-Benzyl aryl hydrazine compound, and preparation method and application thereof 江西师范大学 2024-06-18 CN disclosed
WO-2023086603-A1 COMPOSITIONS AND METHODS FOR PRESERVING AND/OR RESTORING NEURAL FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-19 WO disclosed
WO-2023086603-A1 COMPOSITIONS AND METHODS FOR PRESERVING AND/OR RESTORING NEURAL FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-19 WO disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 CN disclosed
CN-113784620-A Non-aqueous drift control suspensions 蓝宝迪有限公司 2021-12-10 CN disclosed
US-10694743-B2 Agricultural compositions with reduced aquatic toxicity STEPAN COMPANY (US) 2020-06-30 US disclosed
EP-3164004-B1 AGRICULTURAL COMPOSITIONS WITH REDUCED AQUATIC TOXICITY STEPAN CO (US) 2019-09-18 EP disclosed
CN-108658976-A A kind of novel pyrazole simultaneously [4,3-c] pyridine -4(5)-one Bu Ludun kinase inhibitors 南京科技职业学院 2018-10-16 CN disclosed
EP-1242384-A1 PYRAZOLYL BENZYL ETHER DERIVATIVES HAVING A FLUOROMETHOXY GROUP AND THE USE THEREOF AS PESTICIDES Bayer Aktiengesellschaft (DE) 2002-09-25 EP disclosed
WO-2001046154-A1 PYRAZOLYL BENZYL ETHER DERIVATIVES CONTAINING A FLUOROMETHOXYIMINO GROUP AND USE THEREOF AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-28 WO disclosed
WO-2001046154-A1 PYRAZOLYL BENZYL ETHER DERIVATIVES CONTAINING A FLUOROMETHOXYIMINO GROUP AND USE THEREOF AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-28 WO disclosed
WO-2001046153-A1 PYRAZOLYL BENZYL ETHER DERIVATIVES HAVING A FLUOROMETHOXY GROUP AND THE USE THEREOF AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-28 WO disclosed
WO-2001046153-A1 PYRAZOLYL BENZYL ETHER DERIVATIVES HAVING A FLUOROMETHOXY GROUP AND THE USE THEREOF AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-28 WO disclosed
WO-2001044238-A1 PYRAZOLYL BENZYL ETHERS BAYER AKTIENGESELLSCHAFT (DE) 2001-06-21 WO disclosed
WO-2001044238-A1 PYRAZOLYL BENZYL ETHERS BAYER AKTIENGESELLSCHAFT (DE) 2001-06-21 WO disclosed
EP-0763027-A1 PHENYLSULFONYL UREAS WITH NITROGEN SUBSTITUENTS, METHOD FOR THEIR PREPARATION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1997-03-19 EP disclosed
WO-1995032951-A1 PHENYLSULFONYL UREAS WITH NITROGEN SUBSTITUENTS, METHOD FOR THEIR PREPARATION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1995-12-07 WO disclosed
US-3979409-A DEHYDROGENATION WITH N-BROMO OR N-CHLORO-SUCCINIMIDE AMERICAN CYANAMID COMPANY (US) 1976-09-07 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 (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-10694743-B2 Agricultural compositions with reduced aquatic toxicity AGXT, FADS2, SGMS1 TSHR 3378/4885ALDH1A1 2798/4885CYP19A1 1712/4885

“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.