SCHEMBL8950475

SCHEMBL8950475

O=C1c2ccccc2C(=O)N1C/C=C\CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.60
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
GLS O94925 1/20 0.52
ALDH1A1 P00352 2/20 0.48
ALDH3A1 P30838 1/20 0.47
RCE1 Q9Y256 1/20 0.47
DRD3 P35462 1/20 0.46

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
SCHEMBL4476083 1.00 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL4468251 1.00 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL21901972 0.92 CASP3 (0.53) CASP3CA12CA9GLSALDH1A1
SCHEMBL2319856 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL9761279 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL25302148 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL9761288 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL644937 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL23077378 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL12439955 0.90 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2416780-B1 COMBINATION OF DECITABINE WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER OTSUKA PHARMA CO LTD (JP) 2017-03-08 EP disclosed
EP-2416781-B1 COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER OTSUKA PHARMA CO LTD (JP) 2017-03-08 EP disclosed
EP-2417146-B1 (2'-DEOXY-RIBOFURANOSYL)-1,3,4,7-TETRAHYDRO-(1,3)DIAZEPIN-2-ONE DERIVATIVES FOR TREATING CANCER OTSUKA PHARMA CO LTD (JP) 2016-07-13 EP disclosed
US-9040501-B2 Compositions and methods for treating cancer OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-9040501-B2 Compositions and methods for treating cancer OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-20140221305-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2014-08-07 US disclosed
US-20140221305-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2014-08-07 US disclosed
US-20130116207-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2013-05-09 US disclosed
US-20130116207-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2013-05-09 US disclosed
US-8329665-B2 Compositions and methods for treating cancer EISAI INC. (US) 2012-12-11 US disclosed
US-20100279977-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER EISAI INC. (US) 2010-11-04 US disclosed
US-20100279977-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER EISAI INC. (US) 2010-11-04 US disclosed
WO-2010118010-A1 COMBINATION OF DECITABINE WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER EISAI INC. (US) 2010-10-14 WO disclosed
WO-2010118006-A1 (2 ' -DEOXY-RIBOFURANOSYL) -1,3,4, 7-TETRAHYDRO- (1,3) IAZEPIN-2-0NE DERIVATIVES FOR TREATING CANCER EISAI INC. (US) 2010-10-14 WO disclosed
WO-2010118013-A1 COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER EISAI INC. (US) 2010-10-14 WO disclosed
US-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 US disclosed
US-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 US disclosed
US-5556968-A Polyazamacrocycle chelating agents with amide linkages NYCOMED SALUTAR, INC. (US) 1996-09-17 US disclosed
EP-0556240-A1 CHELATING AGENTS. COCKBAIN JULIAN R M (GB) 1993-08-25 EP disclosed
WO-1992008707-A1 CHELATING AGENTS COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) 1992-05-29 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 (3 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-20140221305-A1 Compositions and Methods for Treating Cancer RNASE1, UNG, HCCS CASP3 29/4885CA12 373/4885CA9 92/4885
US-20100279977-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER RNASE1, UNG, HCCS CASP3 29/4885CA12 373/4885CA9 92/4885
US-20130116207-A1 Compositions and Methods for Treating Cancer RNASE1, UNG, HCCS CASP3 29/4885CA12 373/4885CA9 92/4885

“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.