SCHEMBL21273255

SCHEMBL21273255

NC(=NO)c1ccc2cc(OCCF)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ NCF1 P14598 4/20 0.45
▸ APP P05067 6/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SCN9A Q15858 4/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL21273252 1.00 MAPT (0.53) MAPTNCF1APPHRH3SCN9A
SCHEMBL21282215 0.79 NCF1 (0.55) MAPTNCF1HRH3
SCHEMBL21273253 0.76 MAPT (0.50) MAPTNCF1APPHRH3SCN9A
SCHEMBL19066016 0.73 MAPT (0.58) MAPTNCF1APPCA12CA1
SCHEMBL10458381 0.72 CA12 (0.59) MAPTNCF1APPCA12CA1
SCHEMBL2157877 0.71 BACE1 (0.39) MAPTHRH3
SCHEMBL2157873 0.71 BACE1 (0.39) MAPTHRH3
SCHEMBL7835292 0.71 MAPT (0.56) MAPTNCF1APPCA12CA1
SCHEMBL15949844 0.69 MAPT (1.00) MAPTNCF1APP
SCHEMBL29409748 0.69 MAPT (1.00) MAPTNCF1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012394-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2024-06-18 — — US disclosed
US-20190256492-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2019-08-22 — — 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 (2 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-20190256492-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 MAPT 58/4885NCF1 1403/4885APP 161/4885
US-12012394-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 MAPT 58/4885NCF1 1403/4885APP 161/4885

“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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