SCHEMBL2400631

SCHEMBL2400631

COc1ccc2scnc2c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
ALDH1A1 P00352 2/20 0.39
PIN1 Q13526 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.35
CYP19A1 P11511 1/20 0.35
PTGS2 P35354 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8580495 0.79 ALDH1A1 (0.38) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL30659890 0.79 MEN1 (0.47) MEN1KMT2ATDP1POLBALDH1A1
SCHEMBL19435480 0.75 PTK6 (0.40) MEN1KMT2ATDP1POLBALDH1A1
SCHEMBL2401753 0.75 KDM4E (0.44) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL1179747 0.74 TDP1 (0.62) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL29396391 0.74 TDP1 (0.62) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL2398549 0.73 KMT2A (0.49) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL2398385 0.73 KMT2A (0.49) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL8581574 0.72 TDP1 (0.44) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL926186 0.70 ALDH1A1 (0.50) MEN1KMT2ATDP1L3MBTL1POLB

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
US-8017637-B2 Inhibitors of cdc phosphatases IPSEN PHARMA S.A.S. (FR) 2011-09-13 US disclosed
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US disclosed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP disclosed
EP-1831209-A2 CDC25 PHOSPHATASE INHIBITORS Société de Conseils de Recherches et d'Applications Scientifiques SAS (S.C.R.A.S) (FR) 2007-09-12 EP disclosed
WO-2006067311-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) SAS (FR) 2006-06-29 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-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES CDC25C, CDC25A, CDC25B MEN1 1555/4885KMT2A 2264/4885TDP1 666/4885

“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.