SCHEMBL4226086

SCHEMBL4226086

O=C1c2nc(-c3ccccc3Br)oc2CCC1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
C1R P00736 1/20 0.44
ELANE P08246 1/20 0.40
MAPT P10636 8/20 0.38
SMN1; SMN2 Q16637 8/20 0.36
TP53 P04637 7/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 8/20 0.35
NPC1 O15118 6/20 0.35
ALDH1A1 P00352 5/20 0.35
NFKB1 P19838 4/20 0.35
NFKB2 Q00653 4/20 0.35
RELA Q04206 4/20 0.35
HPGD P15428 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL1918230 0.86 C1R (0.43) KMT2AC1RELANEMAPTSMN1; SMN2
SCHEMBL1917294 0.77 KMT2A (0.47) KMT2AC1RELANEMAPTSMN1; SMN2
SCHEMBL5761402 0.64 PARP10 (0.49) ELANEMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL23102514 0.63 PARP10 (0.45) KMT2AC1RELANEMAPT
SCHEMBL8064764 0.62 RAB9A (0.53) KMT2AC1RMAPTSMN1; SMN2TP53
SCHEMBL29604926 0.62 CYP19A1 (0.51) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3346153 0.62 CYP19A1 (0.51) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL5299192 0.61 C1R (1.00) KMT2AC1RELANEMAPTSMN1; SMN2
SCHEMBL28632605 0.60 NPC1 (0.59) KMT2AC1RMAPTSMN1; SMN2TP53
SCHEMBL1918076 0.60 KDM4E (0.50) KMT2AC1RELANEMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (7 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 KMT2A 2573/4885C1R 4416/4885ELANE 4126/4885
US-20090137596-A1 G-PROTEIN INHIBITOR CDC25A, CDC25C, CDC25B KMT2A 1598/4885C1R 4546/4885ELANE 4844/4885
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent CDC25A, CDC25C, CDC25B KMT2A 1461/4885C1R 4247/4885ELANE 4828/4885
US-20070293487-A1 BENZOTHIAZOLE- AND BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS CDC25C, CDC25A, CDC25B KMT2A 2533/4885C1R 4462/4885ELANE 4105/4885
US-20070255063-A1 BENZOTHIAZOLE- AND BENZOOXAZOLE-4,7-DIONE, DERIVATIVES AND THEIR USE AS CDC25 PHOSPHATE INHIBITORS CDC25A, CDC25C, CDC25B KMT2A 2486/4885C1R 4723/4885ELANE 3613/4885
US-20060040996-A1 Benzothiazole-and benzoxazole-4, 7-dione derivatives and their use as dcd25 phosphatase inhibitors DUSP5, DUSP15, CDC25C KMT2A 2887/4885C1R 4257/4885ELANE 4115/4885
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent CDC25A, CDC25C, CDC25B KMT2A 1292/4885C1R 4319/4885ELANE 4856/4885

“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.