SCHEMBL1990360

SCHEMBL1990360

NC(=O)N(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 1/20 0.45
ALOX5 P09917 1/20 0.44
AGXT P21549 1/20 0.43
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 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
SCHEMBL28808708 0.85 PARP10 (0.45) PARP10ALDH1A1NPC1RAB9AKMT2A
SCHEMBL27726414 0.81 ALDH1A1 (0.48) PARP10ALDH1A1NPC1RAB9AKMT2A
SCHEMBL27705810 0.81 PARP10 (0.45) PARP10ALDH1A1NPC1RAB9AKMT2A
SCHEMBL28063042 0.81 ALDH1A1 (0.48) PARP10ALDH1A1NPC1RAB9AKMT2A
SCHEMBL7667460 0.79 ALDH1A1 (0.47) PARP10ALDH1A1NPC1RAB9AKMT2A
SCHEMBL5320045 0.79 PARP10 (0.44) PARP10ALDH1A1NPC1RAB9AKMT2A
SCHEMBL16096077 0.76 ALDH1A1 (0.47) PARP10ALDH1A1NPC1RAB9AKMT2A
SCHEMBL8316594 0.75 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AKMT2AMAPK1
SCHEMBL27576689 0.74 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AKMT2AMAPK1
SCHEMBL23616312 0.74 L3MBTL1 (0.44) PARP10ALDH1A1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478541-B Method for synthesizing imidazo [4,5-b ] indole-2-thione derivative in metal-free catalytic system 南京林业大学 2023-08-29 CN disclosed
CN-114478541-A Method for synthesizing imidazo [4,5-b ] indole-2-thioketone derivative in metal-free catalytic system 南京林业大学 2022-05-13 CN disclosed
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 4527/4885ALDH1A1 4203/4885NPC1 3027/4885
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 4527/4885ALDH1A1 4203/4885NPC1 3027/4885
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 4527/4885ALDH1A1 4203/4885NPC1 3027/4885
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 4527/4885ALDH1A1 4203/4885NPC1 3027/4885
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 4527/4885ALDH1A1 4203/4885NPC1 3027/4885

“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.