SCHEMBL1990362

SCHEMBL1990362

NC(=O)N(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.45
CTNNB1 P35222 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
ALOX15 P16050 1/20 0.40
ALOX5 P09917 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11264084 0.81 ATM (0.43) PARP10CTNNB1TDP1L3MBTL1TSHR
SCHEMBL8941695 0.80 ALDH1A1 (0.42) PARP10CTNNB1KMT2AMEN1TDP1
SCHEMBL27672356 0.78 PARP10 (0.42) PARP10CTNNB1KMT2AMEN1TDP1
SCHEMBL3826087 0.77 TDP1 (0.46) PARP10CTNNB1KMT2AMEN1TDP1
SCHEMBL712279 0.76 NPSR1 (0.54) PARP10KMT2AMEN1TDP1L3MBTL1
SCHEMBL27343822 0.75 PARP10 (0.40) PARP10CTNNB1KMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL30821401 0.74 NPSR1 (0.52) PARP10KMT2AMEN1TDP1L3MBTL1
SCHEMBL6236145 0.74 L3MBTL1 (0.41) PARP10L3MBTL1MAPTTSHRHSD17B10
Diphenylether SCHEMBL27544508 0.73 PARP10 (0.61) PARP10CTNNB1KMT2ATSHRALOX5
SCHEMBL11222117 0.72 PARP10 (0.38) PARP10CTNNB1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109824668-A The polymorphic forms and pseudopolymorphic forms of medical compounds 辉瑞爱尔兰制药公司 2019-05-31 CN disclosed
US-20170210742-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT FOREST LABORATORIES HOLDINGS LTD (BM) 2017-07-27 US disclosed
US-9580424-B2 Crystalline forms of trans-7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide sodium salt FOREST LABORATORIES HOLDINGS LIMITED (BM) 2017-02-28 US disclosed
CN-102834395-B Polymorphic and pseudopolymorphic forms of a pharmaceutical compound 阿斯利康控股法国有限公司 2016-06-29 CN disclosed
US-20150246920-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT FOREST LABORATORIES HOLDINGS LIMITED (BM) 2015-09-03 US disclosed
US-9062053-B2 Crystalline forms of trans-7-oxo-6-(sulphooxy)-1,6-Diazabicyclo[3,2,1]octane-2-carboxamide sodium salt FOREST LABORATORIES HOLDINGS LIMITED (BM) 2015-06-23 US disclosed
CN-104592229-A Polymorphic and pseudopolymorphic forms of a pharmaceutical compound ASTRA ZENECA HOLDING FRANCE SAS 2015-05-06 CN disclosed
US-20140349967-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT FOREST LABORATORIES HOLDINGS LIMITED (BM) 2014-11-27 US disclosed
US-8835455-B2 Crystalline forms of trans-7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide sodium salt ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2014-09-16 US disclosed
US-20130267480-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2013-10-10 US disclosed
US-8471025-B2 Crystalline forms of trans-7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide sodium salt ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2013-06-25 US disclosed
CN-102834395-A Polymorphic and pseudopolymorphic forms of a pharmaceutical compound NOVEXEL SA 2012-12-19 CN disclosed
US-20110152311-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT FOREST LABORATORIES HOLDINGS LTD. (BM) 2011-06-23 US 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-20110152311-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT SLC10A6, SLC5A2, SLC5A1 PARP10 4527/4885CTNNB1 2263/4885KMT2A 1843/4885
US-20130267480-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT SLC10A6, SLC5A2, SLC5A1 PARP10 4527/4885CTNNB1 2263/4885KMT2A 1843/4885
US-20170210742-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT SLC10A6, SLC5A2, SLC5A1 PARP10 4527/4885CTNNB1 2263/4885KMT2A 1843/4885
US-20140349967-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT SLC10A6, SLC5A2, SLC5A1 PARP10 4527/4885CTNNB1 2263/4885KMT2A 1843/4885
US-20150246920-A1 NOVEL CRYSTALLINE FORMS OF TRANS-7-OXO-6-(SULPHOOXY)-1,6-DIAZABICYCLO[3,2,1]OCTANE-2-CARBOXAMIDE SODIUM SALT SLC10A6, SLC5A2, SLC5A1 PARP10 4527/4885CTNNB1 2263/4885KMT2A 1843/4885

“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.