SCHEMBL1918418

SCHEMBL1918418

CN(C)c1ccc(O)c(CNCCc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDC25C P30307 4/20 1.00
▸ CA1 P00915 6/20 0.50
▸ CA2 P00918 6/20 0.50
▸ CA12 O43570 5/20 0.50
▸ CA4 P22748 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CA9 Q16790 4/20 0.48
▸ THRB P10828 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ HTR2A P28223 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
SCHEMBL1917474 0.81 CDC25C (1.00) CDC25CCA1CA2CA12CA4
SCHEMBL1916880 0.81 CDC25C (1.00) CDC25CMEN1KMT2ATHRBAPEX1
SCHEMBL16681892 0.73 CA1 (0.77) CDC25CCA1CA2CA12CA4
SCHEMBL11509750 0.72 APP (0.56) CDC25CMEN1KMT2ATHRBTDP1
SCHEMBL9628053 0.72 KCNH2 (0.73) CDC25CCA1CA2CA12CA4
SCHEMBL4402970 0.71 CNR1 (0.72) CDC25CCA1CA2CA12CA4
SCHEMBL28884060 0.71 KMT2A (0.65) CDC25CCA1CA2CA12CA4
SCHEMBL9827648 0.71 CDC25C (0.55) CDC25CCA1CA2CA12CA4
SCHEMBL6687191 0.70 CDC25C (0.54) CDC25CCA1CA2CA12CA4
Hydrochloric Acid SCHEMBL28374440 0.70 KMT2A (0.64) CDC25CCA1CA2CA12CA4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100406449-C CDC25 phosphatase inhibitors SOD CONSEILS RECH APPLIC (FR) 2008-07-30 — — CN claimed
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-20060154933-A1 Inhibitors of Cdc25 phosphatases SCRAS 2006-07-13 — — 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 (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 CDC25C 1/4885CA1 1271/4885CA2 608/4885
US-20090137596-A1 G-PROTEIN INHIBITOR CDC25A, CDC25C, CDC25B CDC25C 2/4885CA1 3113/4885CA2 1611/4885
US-20060154933-A1 Inhibitors of Cdc25 phosphatases CDC25A, CDC25C, CDC25B CDC25C 2/4885CA1 903/4885CA2 1300/4885
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent CDC25A, CDC25C, CDC25B CDC25C 2/4885CA1 2348/4885CA2 1543/4885
US-20060235027-A1 Inhibitors of cdc25 phosphatases CDC25A, CDC25C, CDC25B CDC25C 2/4885CA1 903/4885CA2 1300/4885
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 2/4885CA1 2987/4885CA2 2073/4885

“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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