SCHEMBL9102972

SCHEMBL9102972

Fc1ccc(-c2nn[c]s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALOX5 P09917 1/20 0.39
APP P05067 8/20 0.38
SULT1A1 P50225 1/20 0.38
KDM4E B2RXH2 1/20 0.37
AR P10275 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NOTUM Q6P988 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9105065 0.79 CA1 (0.38) NPC1RAB9AAPPKDM4EHDAC1
SCHEMBL11514689 0.79 NPC1 (0.38) NPC1RAB9AALOX5NOTUMMEN1
SCHEMBL2428375 0.79 KDM4E (0.46) NPC1RAB9AALOX5KDM4ETRPM8
SCHEMBL13801077 0.67 ALOX5 (0.50) ALOX5APPSULT1A1KDM4EAR
SCHEMBL5539715 0.67 KDM4E (0.41) NPC1RAB9AALOX5APPSULT1A1
SCHEMBL1893056 0.66 KMT2A (0.43) NPC1RAB9AALOX5TRPM8HDAC1
SCHEMBL693755 0.64 APP (0.42) RAB9AALOX5APPSULT1A1KDM4E
SCHEMBL7566383 0.64 KDM4E (0.42) NPC1RAB9AALOX5APPSULT1A1
SCHEMBL3826842 0.64 HDAC1 (0.44) NPC1RAB9AALOX5APPSULT1A1
SCHEMBL1143313 0.62 KDM4E (0.66) NPC1RAB9AKDM4ENOTUMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919486-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-06-07 EP claimed
US-11528907-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2022-12-20 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
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-3919486-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-06-07 EP disclosed
US-20230063447-A1 HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-11528907-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2022-12-20 US disclosed
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-16 US 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
EP-2464368-A1 CATHEPSIN C INHIBITORS Glaxo Group Limited (GB) 2012-06-20 EP disclosed
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
EP-0478974-B1 N-Heteroaryl-2-nitroanilines BASF AG (DE) 1995-12-27 EP disclosed
US-5298515-A N-hetaryl-2-nitroanilines BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0478974-A1 N-Heteroaryl-2-nitroanilines BASF Aktiengesellschaft (DE) 1992-04-08 EP 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 (6 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-11528907-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides CYP4F3, TARS2, TH NPC1 4307/4885RAB9A 1179/4885ALOX5 1235/4885
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, CYP4X1 NPC1 4149/4885RAB9A 961/4885ALOX5 1716/4885
US-11864557-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides CYP4F3, TARS2, TH NPC1 4307/4885RAB9A 1179/4885ALOX5 1235/4885
US-20230063447-A1 HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, TH NPC1 4307/4885RAB9A 1179/4885ALOX5 1235/4885
US-20230389550-A1 HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, TH NPC1 4307/4885RAB9A 1179/4885ALOX5 1235/4885
US-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS NPC1 245/4885RAB9A 678/4885ALOX5 2112/4885

“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.