SCHEMBL57728

SCHEMBL57728

[O]c1cnc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
BCHE P06276 1/20 0.50
GPR3 P46089 1/20 0.50
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
HTT P42858 5/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 2/20 0.44

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
SCHEMBL3412178 0.77 RAB9A (0.58) PDE10AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL3076524 0.76 NPC1 (0.63) PDE10AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL29966674 0.76 NPC1 (0.63) PDE10AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL29614829 0.76 NPC1 (0.63) PDE10AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL29942654 0.76 NPC1 (0.63) PDE10AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL9257557 0.73 HRH4 (0.47) ALDH1A1HPGDHSD17B10ALOX15KDM4E
SCHEMBL25427510 0.72 PDE10A (0.52) PDE10AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL222284 0.72 SMN1; SMN2 (0.53) PDE10AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL28571 0.72 PDE10A (0.52) PDE10AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL3366440 0.72 PDE10A (0.52) PDE10AALDH1A1HPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3115051-B1 ENDOPARASITE CONTROL AGENT UNIV TOKYO (JP) 2022-04-27 EP claimed
US-11259525-B2 Stable herbicidal compositions UPL LIMITED (IN) 2022-03-01 US claimed
CN-106061484-B Endoparasite control agent 国立大学法人东京大学 2020-01-24 CN claimed
US-20190261631-A1 STABLE HERBICIDAL COMPOSITIONS UPL LIMITED (IN) 2019-08-29 US claimed
US-20190046511-A1 ENDOPARASITE CONTROL AGENT THE UNIVERSITY OF TOKYO (JP) 2019-02-14 US claimed
WO-2018078478-A1 STABLE HERBICIDAL COMPOSITIONS UPL LIMITED (IN) 2018-05-03 WO claimed
EP-3115048-A1 ENDOPARASITE CONTROL AGENT The University of Tokyo (JP) 2017-01-11 EP claimed
EP-3115051-A1 ENDOPARASITE CONTROL AGENT The University of Tokyo (JP) 2017-01-11 EP claimed
US-20160367532-A1 ENDOPARASITE CONTROL AGENT THE UNIVERSITY OF TOKYO (JP) 2016-12-22 US claimed
US-20160362393-A1 ENDOPARASITE CONTROL AGENT THE UNIVERSITY OF TOKYO (JP) 2016-12-15 US claimed
US-4891057-A Phenylpyrazolecarboxylic acid derivatives, their preparation, and their use as plant-growth regulators and safeners HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-02 US claimed
US-4877787-A Benzylthio pyridazinone derivatives, preparation thereof, and insecticidal acaricidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES (JP) 1989-10-31 US claimed
EP-0134439-B1 PYRIDAZINONE DERIVATIVES, PREPARATION THEREOF AND INSECTICIDAL, ACARICIDAL, FUNGICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-08-24 EP claimed
EP-0243774-A1 Substituted quinoxalinyloxy-phenoxypropionic-acid derivatives BAYER AG (DE) 1987-11-04 EP claimed
EP-0127876-B1 PROCESS FOR PREPARING PHOSPHONIC-ACID ESTERS, AND PHOSPHONIC ACID DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-12 EP claimed
US-4655883-A ANODIZING AN AROMATIC COMPOUND IN THE PRESENCE OF A PHOSPHITE AND ALKANOL IN A ELECTROLYTIC CELL HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-07 US claimed
EP-0193875-A2 Fungicidal agents based on 3-(hetero)-aryl propyl amines and (hetero)-aryl propyl amines, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-10 EP claimed
EP-0134439-A1 Pyridazinone derivatives, preparation thereof and insecticidal, acaricidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1985-03-20 EP claimed
EP-0127876-A2 Process for preparing phosphonic-acid esters, and phosphonic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-12-12 EP claimed
EP-0127245-A2 Carboxyamidine derivatives NIPPON SODA CO., LTD. (JP) 1984-12-05 EP claimed

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-20160367532-A1 ENDOPARASITE CONTROL AGENT NAAA, CTRL, ENPP1 PDE10A 1582/4885ALDH1A1 2461/4885HPGD 2362/4885
US-20190046511-A1 ENDOPARASITE CONTROL AGENT NAAA, CTRL, ENPP1 PDE10A 1582/4885ALDH1A1 2461/4885HPGD 2362/4885
US-20160362393-A1 ENDOPARASITE CONTROL AGENT NAAA, CTRL, ENPP1 PDE10A 1476/4885ALDH1A1 2445/4885HPGD 1877/4885

“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.