SCHEMBL20928397

SCHEMBL20928397

OCc1cccc(NCCOc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.45
▸ DRD4 P21917 3/20 0.44
▸ HTR1B P28222 2/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BRAF P15056 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ HTR7 P34969 3/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL30831152 1.00 MAP3K5 (0.45) MAP3K5DRD4HTR1BDRD2DRD3
SCHEMBL30831190 0.77 APP (0.47) KCNH2ALDH1A1HTR7L3MBTL1NPC1
SCHEMBL20917627 0.77 APP (0.47) KCNH2ALDH1A1HTR7L3MBTL1NPC1
SCHEMBL19752005 0.75 APP (0.70) ALDH1A1NPC1RAB9AAPP
SCHEMBL19477816 0.74 RAB9A (0.60) ALDH1A1L3MBTL1NPC1HPGDRAB9A
SCHEMBL19463493 0.72 PDE5A (0.48) KCNH2ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL11306777 0.72 HTR7 (0.51) MAP3K5DRD4HTR1BDRD2DRD3
SCHEMBL20436538 0.71 CACNA1C (0.49) KCNH2APP
SCHEMBL20917680 0.69 APP (0.43) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30831174 0.69 APP (0.43) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655677-B Benzimidazole compounds as agrochemicals 瑞戴格作物保护公司 2024-05-03 — — CN disclosed
US-11241013-B2 Benzimidazole compounds as agricultural chemicals REDAG CROP PROT LTD (GB) 2022-02-08 — — US disclosed
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 — — US disclosed
CN-111655677-A Benzimidazole compounds as agrochemicals 瑞戴格作物保护公司 2020-09-11 — — CN disclosed
WO-2019077345-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2019-04-25 — — 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 (2 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-11241013-B2 Benzimidazole compounds as agricultural chemicals CYP3A4, CYP2C8, CYP2E1 MAP3K5 1809/4885DRD4 999/4885HTR1B 2462/4885
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS CYP3A4, CYP2C8, CYP2E1 MAP3K5 1809/4885DRD4 999/4885HTR1B 2462/4885

“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.

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