SCHEMBL1917474

SCHEMBL1917474

COc1cc(N(C)C)cc(CNCCc2ccc([N+](=O)[O-])cc2)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25C P30307 5/20 1.00
▸ MEN1 O00255 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ THRB P10828 1/20 0.71
▸ APEX1 P27695 1/20 0.71
▸ RECQL P46063 1/20 0.71
▸ BLM P54132 1/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA4 P22748 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ HTR2A P28223 2/20 0.52
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL29369543 0.83 MEN1 (1.00) CDC25CMEN1KMT2ATHRBAPEX1
SCHEMBL1917644 0.83 MEN1 (1.00) CDC25CMEN1KMT2ATHRBAPEX1
SCHEMBL9089402 0.81 CDC25C (0.69) CDC25CMEN1KMT2ATHRBAPEX1
SCHEMBL1918418 0.81 CDC25C (1.00) CDC25CMEN1KMT2ATHRBAPEX1
SCHEMBL18177863 0.78 CDC25C (0.64) CDC25CMEN1KMT2ACA12CA1
SCHEMBL5383983 0.75 CDC25C (0.60) CDC25CMEN1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL27940290 0.74 CA12 (0.64) CDC25CMEN1KMT2ATHRBCA12
SCHEMBL4397361 0.73 CDC25C (0.57) CDC25C
SCHEMBL4397359 0.73 CDC25C (0.57) CDC25C
SCHEMBL29362116 0.72 CDC25C (1.00) CDC25CMEN1KMT2ATHRBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20060235027-A1 Inhibitors of cdc25 phosphatases SCRAS 2006-10-19 — — US 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
EP-1641453-A2 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) 2006-04-05 — — EP 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
WO-2005000852-A2 PRODUCT CONTAINING AT LEAST ONE PHOSPHATASE CDC25 INHIBITOR COMBINED WITH AT LEAST ONE OTHER ANTICANCER AGENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2005-01-06 — — WO 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 (5 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 CDC25C 1/4885MEN1 3563/4885KMT2A 2705/4885
US-20090137596-A1 G-PROTEIN INHIBITOR CDC25A, CDC25C, CDC25B CDC25C 2/4885MEN1 1031/4885KMT2A 1598/4885
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent CDC25A, CDC25C, CDC25B CDC25C 2/4885MEN1 982/4885KMT2A 1461/4885
US-20060235027-A1 Inhibitors of cdc25 phosphatases CDC25A, CDC25C, CDC25B CDC25C 2/4885MEN1 1858/4885KMT2A 1728/4885
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent CDC25A, CDC25C, CDC25B CDC25C 2/4885MEN1 954/4885KMT2A 1292/4885

“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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