SCHEMBL8900878

SCHEMBL8900878

Nc1nc(Cl)nc2ccc(F)cc12

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
ACHE P22303 6/20 0.47
BCHE P06276 5/20 0.47
GRIN1 Q05586 5/20 0.47
GRIN2A Q12879 5/20 0.47
BACE1 P56817 1/20 0.43
AXL P30530 1/20 0.41
GFER P55789 1/20 0.41
MAP4K4 O95819 1/20 0.40
MPO P05164 1/20 0.40
TYMS P04818 1/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL29663483 1.00 HTT (0.64) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL29224064 0.85 HTT (0.50) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL27223540 0.81 DCPS (0.53)
SCHEMBL21500731 0.81 HTT (0.68) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL1991118 0.81 BCHE (0.42) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL29441517 0.81 HTT (0.68) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL29909019 0.81 BCHE (0.42) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL4852768 0.80 HTT (0.47) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL8897424 0.78 HTT (1.00) HTTACHEBCHEGRIN1GRIN2A
SCHEMBL3778992 0.78 HTT (0.64) HTTACHEBCHEGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118142359-A Anti-pollution and oxidation-resistant reverse osmosis membrane with low-surface-energy coating and preparation method thereof 万华化学集团股份有限公司 2024-06-07 CN claimed
CN-118142359-A Anti-pollution and oxidation-resistant reverse osmosis membrane with low-surface-energy coating and preparation method thereof 万华化学集团股份有限公司 2024-06-07 CN disclosed
US-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2021-11-18 US disclosed
WO-2019204768-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-24 WO disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 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-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS ADRB1, ADRB2, ADRA2B HTT 4394/4885ACHE 605/4885BCHE 1701/4885

“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.