SCHEMBL10002121

SCHEMBL10002121

CC[n+]1ccc(-c2cscc2-c2cc[n+](CCP(=O)(O)O)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ S1PR3 Q99500 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GGPS1 O95749 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9889761 0.86 MEN1 (0.41) S1PR3MEN1TP53CYP1A2CYP2D6
SCHEMBL22335456 0.85 S1PR3 (0.38) ESR1ESR2S1PR3GGPS1
SCHEMBL29201320 0.84 MEN1 (0.40) S1PR3MEN1TP53CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3364505 0.84 MEN1 (0.40) S1PR3MEN1TP53CYP1A2CYP2D6
SCHEMBL13077356 0.78 MEN1 (0.42) ESR1ESR2MEN1TP53CYP1A2
SCHEMBL10002120 0.78 NQO2 (0.33) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL1226951 0.77 MEN1 (0.39) MEN1TP53CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL3364608 0.75 MEN1 (0.46) S1PR3MEN1TP53CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL210855 0.75 MEN1 (0.38) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL918125 0.75 MEN1 (0.38) MEN1TP53CYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3920701-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-12-15 — — EP claimed
WO-2020161163-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO claimed
US-20220104493-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-04-07 — — US disclosed
EP-3920701-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-12-15 — — EP disclosed
CN-113412055-A Herbicidal compounds 先正达农作物保护股份公司 2021-09-17 — — CN disclosed
WO-2020161163-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
WO-2020161163-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
US-8531754-B2 Electrochromic display element RICOH COMPANY, LTD. (JP) 2013-09-10 — — US disclosed
US-8531754-B2 Electrochromic display element RICOH COMPANY, LTD. (JP) 2013-09-10 — — US disclosed
US-20120050838-A1 ELECTROCHROMIC DISPLAY APPARATUS RICOH COMPANY, LTD. (JP) 2012-03-01 — — US disclosed
US-20110279884-A1 ELECTROCHROMIC DISPLAY ELEMENT RICOH COMPANY, LTD. (JP) 2011-11-17 — — US disclosed
US-20110279884-A1 ELECTROCHROMIC DISPLAY ELEMENT RICOH COMPANY, LTD. (JP) 2011-11-17 — — US 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 (1 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-20220104493-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 ESR1 3611/4885ESR2 2777/4885S1PR3 3222/4885

“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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