SCHEMBL12812969

SCHEMBL12812969

Nc1ccc2c(c1)SC1=C(C=CC(=O)C1)N2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ BLM P54132 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CCNB2 O95067 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL10591086 0.84 NOX1 (0.50) CA9NOX1MAPTKMT2AGAA
SCHEMBL10591877 0.83 EPHX2 (0.48) CA9NOX1MEN1MAPTKMT2A
SCHEMBL16061005 0.81 NOX1 (0.43) NOX1MAPTKMT2AGAACCNB2
SCHEMBL87790 0.80 GAA (0.47) NOX1MEN1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL1813065 0.80 KDM4E (0.31) NOX1MEN1MAPTKMT2AKDM4E
SCHEMBL3112042 0.80 MAPT (0.36) NOX1MEN1MAPTKMT2AKDM4E
SCHEMBL10591060 0.80 SNCA (0.55) CA9NOX1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL1814021 0.79 KDM4E (0.33) NOX1MEN1MAPTKMT2AKDM4E
SCHEMBL12272774 0.78 ALDH1A1 (0.34) MEN1MAPTKMT2AGAATDP1
SCHEMBL12272572 0.78 ALDH1A1 (0.37) MEN1MAPTKMT2AGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809317-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-08-19 — — US disclosed
US-20120302556-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-11-29 — — US disclosed
WO-2012135402-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2012-10-04 — — 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-20120302556-A1 Antiviral Compounds HAVCR2, MAVS, EIF2AK2 CA9 2640/4885NOX1 2733/4885MEN1 4541/4885

“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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