SCHEMBL22658302

SCHEMBL22658302

NNc1ccc(OC(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.42
ABL1 P00519 1/20 0.40
KDM4E B2RXH2 5/20 0.38
GAA P10253 5/20 0.38
MAPT P10636 3/20 0.38
GPR65 Q8IYL9 1/20 0.37
HCRTR1 O43613 1/20 0.37
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
ADAM17 P78536 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
SLC6A4 P31645 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MBOAT4 Q96T53 1/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD1 P21728 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL29433388 1.00 ROCK1 (0.42) ROCK1ABL1KDM4EGAAMAPT
SCHEMBL28501568 0.81 HCAR3 (0.41) ROCK1ABL1KDM4EGAAMAPT
SCHEMBL22926205 0.75 KDM4E (0.42) ROCK1ABL1KDM4EGAAALOX15
SCHEMBL29417994 0.75 GAA (0.42) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL1964973 0.75 GAA (0.42) KDM4EGAAMAPTNPC1RAB9A
SCHEMBL1002255 0.75 MPO (0.43) ROCK1KDM4EALOX15GFERADAM17
Hydrochloric Acid SCHEMBL22395324 0.73 MPO (0.42) ROCK1KDM4EALOX15GFERADAM17
SCHEMBL25201725 0.73 ROCK1 (0.44) ROCK1ABL1GAAMAPTHCRTR1
SCHEMBL30005327 0.72 CHRNB2 (0.39) ROCK1ALOX15GFERADAM17LMNA
SCHEMBL24665317 0.72 CHRNB2 (0.39) ROCK1ALOX15GFERADAM17LMNA

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
US-20230389550-A1 HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 US claimed
US-20230063447-A1 HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US claimed
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-16 US claimed
EP-3919486-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-12-08 EP claimed
EP-3784661-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-03-03 EP claimed
CN-112204021-A Novel heteroaryltriazole and heteroaryltetrazole compounds as pesticides 拜耳公司 2021-01-08 CN claimed
US-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO, INC. 2025-06-12 US disclosed
US-12171229-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2024-12-24 US disclosed
US-12133852-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2024-11-05 US disclosed
CN-112204021-B Novel heteroaryl triazoles and heteroaryl tetrazoles as pesticides 拜耳公司 2024-05-28 CN disclosed
US-11864557-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2024-01-09 US disclosed
US-20230389550-A1 HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 US disclosed
EP-3784661-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-11-22 EP disclosed
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-16 US disclosed
EP-3919486-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-12-08 EP disclosed
EP-3919486-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-12-08 EP disclosed
EP-3784661-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-03-03 EP disclosed
CN-112204021-A Novel heteroaryltriazole and heteroaryltetrazole compounds as pesticides 拜耳公司 2021-01-08 CN disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 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 (7 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-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 ROCK1 2926/4885ABL1 4450/4885KDM4E 2609/4885
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, CYP4X1 ROCK1 3418/4885ABL1 1245/4885KDM4E 2663/4885
US-11864557-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides CYP4F3, TARS2, TH ROCK1 3584/4885ABL1 956/4885KDM4E 2912/4885
US-20230063447-A1 HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, TH ROCK1 3584/4885ABL1 956/4885KDM4E 2912/4885
US-12171229-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides CYP4F3, TARS2, TH ROCK1 3584/4885ABL1 956/4885KDM4E 2912/4885
US-20230389550-A1 HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, TH ROCK1 3584/4885ABL1 956/4885KDM4E 2912/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 ROCK1 2926/4885ABL1 4450/4885KDM4E 2609/4885

“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.