SCHEMBL394140

SCHEMBL394140

CC(C)(C)c1ccc(C2COC(c3c(F)cccc3Cl)=N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
NOS3 P29474 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 3/20 0.36
CYP2D6 P10635 1/20 0.34

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
SCHEMBL29605577 1.00 MAPT (0.38) MAPTRAB9ANOS3GAANPSR1
SCHEMBL6254533 0.90 NOS3 (0.38) MAPTRAB9ANOS3ALDH1A1NPC1
SCHEMBL6602644 0.90 NPSR1 (0.38) MAPTRAB9ANOS3GAANPSR1
SCHEMBL83801 0.86 KDM4E (0.43) MAPTRAB9ANOS3NPSR1ALDH1A1
SCHEMBL31323968 0.81 ALDH1A1 (0.38) MAPTRAB9ANOS3ALDH1A1NPC1
SCHEMBL7761104 0.81 MAPT (0.36) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6600450 0.80 NOS3 (0.35) MAPTRAB9ANOS3GAANPSR1
SCHEMBL82989 0.79 TAAR1 (0.41) MAPTRAB9ANOS3NPSR1ALDH1A1
SCHEMBL82712 0.78 ALDH1A1 (0.43) MAPTRAB9ANOS3NPSR1ALDH1A1
SCHEMBL9393463 0.78 TAAR1 (0.39) MAPTALDH1A1SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460408-A1 Nematicidal compositions deVGen N.V. (BE) 2012-06-06 EP claimed
US-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-06-30 US disclosed
US-20220104495-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-04-07 US disclosed
EP-3962900-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ISAGRO S.p.A. (IT) 2022-03-09 EP disclosed
CN-113784952-A Esters of non-aromatic heterocyclic compounds with nematicidal activity, their agronomic compositions and uses thereof 伊萨格罗股份公司 2021-12-10 CN disclosed
US-20210127678-A1 ESTERS OF HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND THEIR USE ISAGRO S.P.A. (IT) 2021-05-06 US disclosed
US-10874107-B2 β-lactamase targeted photosensitizer for pesticide and pest detection THE GENERAL HOSPITAL CORPORATION (US) 2020-12-29 US disclosed
WO-2020222118-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF. ISAGRO S.P.A. (IT) 2020-11-05 WO disclosed
US-20200281208-A1 USE OF CRYSTALLINE FORMS OF COPPER SALICYLATE FOR THE CONTROL OF PHYTOPATHOGENIC BACTERIA ISAGRO S.P.A. (IT) 2020-09-10 US disclosed
US-20200154710-A1 BETA-LACTAMASE TARGETED PHOTOSENSITIZER FOR PESTICIDE AND PEST DETECTION BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2020-05-21 US disclosed
WO-2001029014-A1 ISOTHIAZOLE-5-CARBOXYLIC ESTERS AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-04-26 WO disclosed
WO-2001005787-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (DE) 2001-01-25 WO disclosed
WO-2000076985-A1 CYCLO-IMINO DEPSIPEPTIDES AND THEIR UTILIZATION IN CONTROLLING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-21 WO disclosed
WO-2000073290-A1 ISOTHIAZOLECARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2000-12-07 WO disclosed
EP-1017674-A1 UTILIZING SPIROCYCLIC PHENYL KETO-ENOLS AS PESTICIDES AND HERBICIDES Bayer Aktiengesellschaft (DE) 2000-07-12 EP disclosed
WO-2000010970-A1 METHOXIMINOPHENYLACETIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed
WO-2000003995-A1 DIPHENYLIMIDAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-27 WO disclosed
WO-1999016748-A1 UTILIZING SPIROCYCLIC PHENYL KETO-ENOLS AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-04-08 WO disclosed
EP-0345775-B1 OXA- OR THIA-ZOLINE DERIVATIVE YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1992-04-08 EP disclosed
US-4977171-A INSECTICIDES YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1990-12-11 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 (5 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-10874107-B2 β-lactamase targeted photosensitizer for pesticide and pest detection DDT, BCHE, GUSB MAPT 2225/4885RAB9A 928/4885NOS3 3203/4885
US-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ACHE, CYP51A1, DNPH1 MAPT 2912/4885RAB9A 611/4885NOS3 945/4885
US-20210127678-A1 ESTERS OF HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND THEIR USE CYP51A1, ACHE, CYP8B1 MAPT 3054/4885RAB9A 643/4885NOS3 1534/4885
US-20200154710-A1 BETA-LACTAMASE TARGETED PHOTOSENSITIZER FOR PESTICIDE AND PEST DETECTION DDT, BCHE, GUSB MAPT 2213/4885RAB9A 973/4885NOS3 3411/4885
US-20220104495-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE ACHE, XDH, TYMP MAPT 1164/4885RAB9A 2155/4885NOS3 595/4885

“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.