SCHEMBL1918191

SCHEMBL1918191

O=[N+]([O-])c1cccc2oc(-c3c(F)cccc3F)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.48
F3 P13726 2/20 0.48
F2RL3 Q96RI0 1/20 0.47
PDE10A Q9Y233 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL4146911 0.75 MMP2 (0.49) F2RL3PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL2243651 0.75 MMP2 (0.51) F2RL3PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL1918043 0.75 F2RL3 (0.43) F7F3F2RL3MAPTSMN1; SMN2
SCHEMBL914145 0.75 F7 (0.59) F7F3TXNRD1TXNRD3TXNRD2
SCHEMBL18935910 0.75 MEN1 (0.49) F2RL3PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL440072 0.75 DHODH (0.49) F7F3ALDH1A1KDM4ENPC1
SCHEMBL28052403 0.74 PDE10A (0.50) F2RL3PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL2402899 0.74 MAPT (0.43) F2RL3MEN1KMT2AMAPTALDH1A1
SCHEMBL7908892 0.73 PDE10A (0.49) F2RL3PDE10ATXNRD1TXNRD3TXNRD2
SCHEMBL1121403 0.73 PDE10A (0.49) F2RL3PDE10ATXNRD1TXNRD3TXNRD2

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
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
EP-1641453-B1 PRODUCT CONTAINING AT LEAST ONE PHOSPHATASE CDC25 INHIBITOR COMBINED WITH AT LEAST ONE OTHER ANTICANCER AGENT IPSEN PHARMA (FR) 2009-08-19 EP 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
US-20090131428-A1 BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-05-21 US disclosed
US-20090082345-A1 BENZOTHIAZOLE- AND BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-26 US disclosed
US-7495021-B2 Benzothiazole- and benzooxazole-4,7-dione, derivatives and their use as cdc25 phosphate inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-20070293487-A1 BENZOTHIAZOLE- AND BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS SOCIET DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-12-20 US disclosed
US-20070255063-A1 BENZOTHIAZOLE- AND BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-11-01 US disclosed
US-7279467-B2 Benzothiazole-and benzoxazole-4, 7-dione derivatives and their use as dcd25 phosphatase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-10-09 US disclosed
EP-1461326-B1 BENZOTHIAZOLE- AND BENZOXAZOLE-4,7-DIONE DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATASE INHIBITORS SOD CONSEILS RECH APPLIC (FR) 2007-08-01 EP 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-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
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
US-20060040996-A1 Benzothiazole-and benzoxazole-4, 7-dione derivatives and their use as dcd25 phosphatase inhibitors IPSEN PHARMA S.A.S. (FR) 2006-02-23 US 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
EP-1461326-A1 BENZOTHIAZOLE- AND BENZOXAZOLE-4,7-DIONE DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-09-29 EP disclosed
WO-2003055868-A1 BENZOTHIAZOLE- AND BENZOXAZOLE-4,7-DIONE DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-07-10 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 (8 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-20090131428-A1 BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS CDC25C, CDC25A, CDC25B F7 2916/4885F3 1861/4885F2RL3 4576/4885
US-20090137596-A1 G-PROTEIN INHIBITOR CDC25A, CDC25C, CDC25B F7 3149/4885F3 3922/4885F2RL3 4680/4885
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent CDC25A, CDC25C, CDC25B F7 3307/4885F3 4099/4885F2RL3 4716/4885
US-20070293487-A1 BENZOTHIAZOLE- AND BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS CDC25C, CDC25A, CDC25B F7 3338/4885F3 1910/4885F2RL3 4653/4885
US-20070255063-A1 BENZOTHIAZOLE- AND BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS CDC25A, CDC25C, CDC25B F7 4153/4885F3 2742/4885F2RL3 4521/4885
US-20060040996-A1 Benzothiazole-and benzoxazole-4, 7-dione derivatives and their use as dcd25 phosphatase inhibitors DUSP5, DUSP15, CDC25C F7 3740/4885F3 1977/4885F2RL3 4227/4885
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent CDC25A, CDC25C, CDC25B F7 3101/4885F3 4273/4885F2RL3 4701/4885
US-20090082345-A1 BENZOTHIAZOLE- AND BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS CDC25C, CDC25A, CDC25B F7 3338/4885F3 1910/4885F2RL3 4653/4885

“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.