SCHEMBL1918062

SCHEMBL1918062

O=C(NCCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cc2cc(O)ccc2cc1O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.55
MAOA P21397 2/20 0.55
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
POLA1 P09884 1/20 0.45
GSK3B P49841 2/20 0.45
TUBB P07437 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6080848 0.90 KDM1A (0.52) KDM1AMAOACA1CA2CA12
SCHEMBL1918086 0.89 POLA1 (0.55) POLA1GSK3BALDH1A1KDM4ELMNA
SCHEMBL1917291 0.88 KDM1A (0.60) KDM1AMAOACA1CA2CA12
SCHEMBL1917801 0.88 GSK3B (0.53) KDM1ACA1CA2CA12CA9
SCHEMBL1918211 0.86 SYK (0.56) KDM1ACA1CA2CA12CA9
SCHEMBL1918574 0.85 CA12 (0.49) KDM1ACA1CA2CA12CA9
SCHEMBL1918691 0.81 GSK3B (0.55) POLA1GSK3B
SCHEMBL6081433 0.81 KDM1A (0.51) KDM1AMAOACA1CA2CA12
SCHEMBL6080527 0.80 CA1 (0.52) CA1CA2CA12CA9POLA1
SCHEMBL1918021 0.80 CA1 (0.57) CA1CA2CA12CA9POLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235027-A1 Inhibitors of cdc25 phosphatases SCRAS 2006-10-19 US claimed
EP-1602368-A2 Cdc25 phosphatase inhibitors Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2005-12-07 EP claimed
JP-2004506618-A 2004-03-04 JP claimed
US-20040034103-A1 Cdc25 photophatase inhibitors IPSEN PHARMA S.A.S. (FR) 2004-02-19 US claimed
EP-1370255-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-12-17 EP claimed
WO-2002009686-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-02-07 WO claimed
EP-2335702-A1 Product containing at least one phosphatase Cdc25 inhibitor combined with at least one other anticancer agent IPSEN PHARMA (FR) 2011-06-22 EP disclosed
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFICQUES 2009-10-08 US disclosed
US-20090137596-A1 G-PROTEIN INHIBITOR SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-05-28 US disclosed
EP-1792905-A1 Product containing at least one phosphatase CDC25 inhibitor combined with at least one other anticancer agent Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2007-06-06 EP disclosed
US-7196084-B2 Cdc25 phosphatase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-27 US disclosed
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-12-14 US disclosed
US-20060235027-A1 Inhibitors of cdc25 phosphatases SCRAS 2006-10-19 US disclosed
US-20060154933-A1 Inhibitors of Cdc25 phosphatases SCRAS 2006-07-13 US disclosed
EP-1602368-A2 Cdc25 phosphatase inhibitors Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2005-12-07 EP disclosed
US-20040034103-A1 Cdc25 photophatase inhibitors IPSEN PHARMA S.A.S. (FR) 2004-02-19 US disclosed
EP-1370255-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-12-17 EP disclosed
WO-2002009686-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-02-07 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 (6 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-20040034103-A1 Cdc25 photophatase inhibitors CDC25C, CDC25A, CDC25B KDM1A 2175/4885MAOA 1670/4885CA1 1271/4885
US-20090137596-A1 G-PROTEIN INHIBITOR CDC25A, CDC25C, CDC25B KDM1A 2909/4885MAOA 3624/4885CA1 3113/4885
US-20060154933-A1 Inhibitors of Cdc25 phosphatases CDC25A, CDC25C, CDC25B KDM1A 1445/4885MAOA 2456/4885CA1 903/4885
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent CDC25A, CDC25C, CDC25B KDM1A 2819/4885MAOA 3112/4885CA1 2348/4885
US-20060235027-A1 Inhibitors of cdc25 phosphatases CDC25A, CDC25C, CDC25B KDM1A 1445/4885MAOA 2456/4885CA1 903/4885
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent CDC25A, CDC25C, CDC25B KDM1A 2802/4885MAOA 3114/4885CA1 2987/4885

“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.