SCHEMBL11580945

SCHEMBL11580945

CC(C)c1ccc2c(c1)Nc1ccccc1S2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 11/20 0.77
GAA P10253 6/20 0.59
MAPT P10636 6/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALOX15 P16050 3/20 0.59
SNCA P37840 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
BCHE P06276 2/20 0.59
ACHE P22303 2/20 0.59
CYP1A2 P05177 1/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
ALOX12 P18054 1/20 0.59
MAOA P21397 1/20 0.59
CNR1 P21554 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2C P28335 1/20 0.59

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
SCHEMBL22960441 0.91 NOX1 (0.65) NOX1GAAMAPTMEN1KMT2A
SCHEMBL22960495 0.91 NOX1 (0.68) NOX1GAAMAPTMEN1KMT2A
SCHEMBL8156018 0.90 NOX1 (0.62) NOX1GAAMAPTMEN1KMT2A
SCHEMBL2706291 0.88 NOX1 (0.59) NOX1GAAMAPTMEN1KMT2A
SCHEMBL31094230 0.87 NOX1 (1.00) NOX1GAAMAPTMEN1KMT2A
SCHEMBL8608372 0.87 NOX1 (1.00) NOX1GAAMAPTMEN1KMT2A
SCHEMBL22960576 0.85 NOX1 (0.70) NOX1GAAMAPTMEN1KMT2A
SCHEMBL22960468 0.85 NOX1 (0.65) NOX1GAAMAPTMEN1KMT2A
SCHEMBL23954142 0.82 NOX1 (0.66) NOX1GAAMAPTMEN1KMT2A
SCHEMBL9980103 0.82 NOX1 (0.54) NOX1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed
US-10442779-B2 Compositions and methods for treating Friedreich's ataxia FRATAGENE THERAPEUTICS S.R.L. (IT) 2019-10-15 US disclosed
US-7332516-B2 Geminally di-substituted NSAID derivatives as Aβ42 lowering agents MERCK + CO., INC. (US) 2008-02-19 US disclosed
US-4115571-A DIURETICS, SMOOTH MUSCLE RELAXANTS, ANTITHROMBOGENIC AGENTS MEAD JOHNSON & COMPANY (US) 1978-09-19 US disclosed
US-4077959-A DIURETICS, SMOOTH MUSCLE RELAXANTS, ANTITHROMBOGENIC MEAD JOHNSON & COMPANY (US) 1978-03-07 US disclosed
US-3946004-A DIURETICS, MUSCLE RELAXANTS, ANTITHROMBOGENIC AGENTS MEAD JOHNSON & COMPANY (US) 1976-03-23 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 (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-10442779-B2 Compositions and methods for treating Friedreich's ataxia ATXN10, ATXN2, ATXN2L NOX1 3652/4885GAA 104/4885MAPT 652/4885

“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.