SCHEMBL20743476

SCHEMBL20743476

OCc1ccnc(-c2ccnnc2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 13/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ CCR1 P32246 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CDC42BPB Q9Y5S2 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL16815373 0.80 NPC1 (0.44) TRPV3GABRA1GABRG2GABRB3GABRA5
SCHEMBL16815363 0.78 CYP2A6 (0.56) —
SCHEMBL31587676 0.77 TRPV3 (0.43) TRPV3HDAC1HDAC8HDAC6
SCHEMBL7958916 0.77 TRPV3 (0.45) TRPV3CCR1GABRA1GABRG2GABRB3
SCHEMBL20743671 0.77 GABRA1 (0.36) S1PR1S1PR3GABRA1GABRG2GABRB3
SCHEMBL20742267 0.75 MEN1 (0.53) TRPV3
SCHEMBL15349904 0.75 IDO1 (0.45) TRPV3S1PR1S1PR3
SCHEMBL16815370 0.75 FYN (0.36) TRPV3
SCHEMBL31587745 0.74 TRPV3 (0.42) TRPV3HDAC1HDAC8HDAC6
SCHEMBL16815321 0.74 TRPV3 (0.58) TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032640-B Herbicidal compounds 先正达参股股份有限公司 2023-08-08 — — CN disclosed
US-11618743-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-04-04 — — US disclosed
US-20220125051-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2022-04-28 — — US disclosed
US-20220125051-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2022-04-28 — — US disclosed
EP-3923727-A1 PRE-HARVEST DESICCATION METHOD Syngenta Crop Protection AG (CH) 2021-12-22 — — EP disclosed
EP-3668855-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-11-10 — — EP disclosed
EP-3668855-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-11-10 — — EP disclosed
CN-113423271-A Pre-harvest drying method 先正达农作物保护股份公司 2021-09-21 — — CN disclosed
US-20210009561-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-01-14 — — US disclosed
US-20210009561-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-01-14 — — US disclosed
WO-2020164971-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
WO-2020164971-A1 PRE-HARVEST DESICCATION METHOD SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed
EP-3668855-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2020-06-24 — — EP disclosed
CN-111032640-A Herbicidal compounds 先正达参股股份有限公司 2020-04-17 — — CN disclosed
WO-2019034757-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-21 — — WO disclosed
WO-2019034757-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-21 — — 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 (3 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-20210009561-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 TRPV3 1779/4885S1PR1 3042/4885S1PR3 3222/4885
US-11618743-B2 Herbicidal compounds DDT, ACHE, GSTO1 TRPV3 1779/4885S1PR1 3042/4885S1PR3 3222/4885
US-20220125051-A1 PRE-HARVEST DESICCATION METHOD GMDS, TREH, DAD1 TRPV3 716/4885S1PR1 1076/4885S1PR3 1080/4885

“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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