SCHEMBL21462822

SCHEMBL21462822

O=C(O)Cc1cnn(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 16/20 0.55
HDAC6 Q9UBN7 15/20 0.54
HDAC1 Q13547 4/20 0.49
HDAC3 O15379 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
HDAC8 Q9BY41 3/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48

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
SCHEMBL20599864 0.88 HDAC4 (0.55) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL23931450 0.86 HDAC4 (0.61) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL20640454 0.86 HDAC4 (0.53) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL20600308 0.86 HDAC4 (0.55) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL20599860 0.85 HDAC6 (0.60) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL20654703 0.84 HDAC6 (0.49) HDAC4HDAC6HDAC1HDAC8
SCHEMBL14645705 0.84 HDAC4 (0.74) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL21407232 0.83 HDAC6 (0.52) HDAC4HDAC6HDAC1HDAC8
SCHEMBL20600408 0.83 HDAC4 (0.67) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL22958916 0.83 HDAC6 (0.55) HDAC4HDAC6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146643-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2024-05-29 EP disclosed
EP-4041721-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2024-03-06 EP disclosed
US-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 US disclosed
US-20230247994-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-10 US disclosed
US-20230247986-A1 AQUEOUS CAPSULE SUSPENSION CONCENTRATES COMPRISING BIODEGRADABLE ESTER GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-10 US disclosed
US-20230242513-A1 NOVEL HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-08-03 US disclosed
US-20230212163-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2023-07-06 US disclosed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 US disclosed
EP-4172154-A1 NOVEL HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES Bayer Animal Health GmbH (DE) 2023-05-03 EP disclosed
US-20230065953-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
EP-3929189-A1 NOVEL HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES Bayer Animal Health GmbH (DE) 2021-12-29 EP disclosed
EP-3845304-A1 CAPSULE SUSPENSION CONCENTRATES BASED ON POLYISOCYANATES AND BIODEGRADABLE AMINE BASED CROSS-LINKER Bayer AG (DE) 2021-07-07 EP disclosed
WO-2021099303-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-27 WO disclosed
US-20210147371-A1 OXADIAZOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 US disclosed
WO-2021097162-A1 BENEFICIAL COMBINATIONS WITH PAENIBACILLUS BAYER CROPSCIENCE LP (US) 2021-05-20 WO disclosed
WO-2021069567-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-15 WO disclosed
EP-3774748-A1 OXADIAZOLINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-02-17 EP disclosed
WO-2020254490-A1 PHENOXYPHENYL HYDROXYISOXAZOLINES AND ANALOGUES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-12-24 WO disclosed
WO-2020254489-A1 BENZYLPHENYL HYDROXYISOXAZOLINES AND ANALOGUES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-12-24 WO disclosed
WO-2019197371-A1 OXADIAZOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 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 (8 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-20230065953-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES GLRX3, TARS2, CYP4F3 HDAC4 1258/4885HDAC6 648/4885HDAC1 394/4885
US-20230242513-A1 NOVEL HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES DDT, PRXL2A, CAT HDAC4 2805/4885HDAC6 1737/4885HDAC1 843/4885
US-20230348432-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES CYP4F3, CYP4X1, GLRX3 HDAC4 1169/4885HDAC6 745/4885HDAC1 395/4885
US-20230212163-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS EPHX2, CYP8B1, CYP4X1 HDAC4 1966/4885HDAC6 2399/4885HDAC1 868/4885
US-20210147371-A1 OXADIAZOLINE DERIVATIVES DDT, FOXO3, PDCD4 HDAC4 739/4885HDAC6 215/4885HDAC1 516/4885
US-20230247986-A1 AQUEOUS CAPSULE SUSPENSION CONCENTRATES COMPRISING BIODEGRADABLE ESTER GROUPS SRM, SMS, PARG HDAC4 2170/4885HDAC6 882/4885HDAC1 1492/4885
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 HDAC4 1519/4885HDAC6 869/4885HDAC1 617/4885
US-20230247994-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS CHRM1, DDT, H1-0 HDAC4 681/4885HDAC6 287/4885HDAC1 65/4885

“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.