SCHEMBL3592050

SCHEMBL3592050

Nc1ccc2c(c1)NC(=O)C[S+]2[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.47
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
APAF1 O14727 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DDB1 Q16531 3/20 0.30
CRBN Q96SW2 3/20 0.30
TDP2 O95551 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
SCHEMBL3604116 0.88 CA9 (0.45) CA9PARP1KDM4EMEN1GAA
SCHEMBL3592048 0.80
SCHEMBL88930 0.79 AHR (0.42) MAPTCCNB2CDK1CCNB1GSK3B
SCHEMBL13545261 0.76 AR (0.32) KDM4EKMT2A
SCHEMBL3604113 0.73 AHR (0.31) CA9
SCHEMBL3598439 0.67 AHR (0.34) CA9MAPT
SCHEMBL3592399 0.67 AHR (0.31)
SCHEMBL30468520 0.66 CA9 (0.70) CA9KDM4EMEN1GAAMAPT
SCHEMBL398137 0.66 CA9 (0.70) CA9KDM4EMEN1GAAMAPT
SCHEMBL6583191 0.65 MAOB (0.40)

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CA9 1531/4885PARP1 1468/4885KDM4E 2284/4885

“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.