SCHEMBL29441517

SCHEMBL29441517

Nc1nc(Cl)nc2ccc(Cl)cc12

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
HTR3A P46098 1/20 0.54
HRH4 Q9H3N8 1/20 0.54
ACHE P22303 6/20 0.47
BCHE P06276 4/20 0.47
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
NR4A2 P43354 1/20 0.47
HSP90AB1 P08238 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
PIK3CG P48736 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
SCHEMBL21500731 1.00 HTT (0.68) HTTHTR3AHRH4ACHEBCHE
SCHEMBL3314521 0.84 NR4A2 (0.53) HTTHTR3AHRH4ACHEBCHE
SCHEMBL3335843 0.84 HSP90AB1 (0.57) HTR3AHRH4HSP90AB1PIK3CG
SCHEMBL29623910 0.81 HTT (1.00) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL29663483 0.81 HTT (0.64) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL8900878 0.81 HTT (0.64) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL30376225 0.81 HTT (0.64) HTTHTR3AHRH4ALDH1A1
SCHEMBL21500701 0.81 HTT (0.64) HTTHTR3AHRH4ALDH1A1
SCHEMBL8897424 0.81 HTT (1.00) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL3778992 0.81 HTT (0.64) HTTHTR3AHRH4ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240008488-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-11 US disclosed
EP-4223755-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-08-09 EP disclosed
CN-116456817-A Heterocyclic compound and harmful arthropod control composition containing same 住友化学株式会社 2023-07-18 CN disclosed
WO-2022071428-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME 住友化学株式会社 2022-04-07 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 (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-20240008488-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME C5, C1QBP, C3AR1 HTT 3632/4885HTR3A 844/4885HRH4 753/4885

“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.