SCHEMBL10201244

SCHEMBL10201244

CSc1c([N+](=O)[O-])ncn1C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
HPGD P15428 2/20 0.62
ATM Q13315 1/20 0.62
MAPT P10636 6/20 0.60
GFER P55789 3/20 0.60
CYP2C19 P33261 2/20 0.60
HTT P42858 2/20 0.60
CYP2C9 P11712 1/20 0.60
GAA P10253 2/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 1/20 0.58
RAB9A P51151 1/20 0.57

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
SCHEMBL16773340 0.82 MAPT (0.61) ALDH1A1HPGDATMMAPTGFER
SCHEMBL14257096 0.81 ALDH1A1 (0.61) ALDH1A1HPGDATMMAPTGFER
SCHEMBL29415390 0.76 MAPT (1.00) ALDH1A1HPGDATMMAPTGFER
SCHEMBL29500467 0.76 ALDH1A1 (0.59) ALDH1A1HPGDATMMAPTGFER
SCHEMBL13401778 0.76 CYP2C19 (1.00) ALDH1A1HPGDATMMAPTGFER
SCHEMBL422634 0.75 KDM4E (0.63) ALDH1A1HPGDATMMAPTGFER
SCHEMBL5367724 0.75 KDM4E (0.63) ALDH1A1HPGDATMMAPTGFER
SCHEMBL9669552 0.74 MAPT (0.62) ALDH1A1HPGDATMMAPTGFER
SCHEMBL2871452 0.73 KDM4E (0.61) ALDH1A1HPGDATMMAPTGFER
SCHEMBL2871450 0.73 KDM4E (0.61) ALDH1A1HPGDATMMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353218-B2 Kit for multifunctional compounds forming crosslinked biomaterials ANGIOTECH PHARMACEUTICALS, INC. 2016-05-31 US disclosed
US-9353218-B2 Kit for multifunctional compounds forming crosslinked biomaterials ANGIOTECH PHARMACEUTICALS, INC. 2016-05-31 US disclosed
US-9326934-B2 Drug delivery from rapid gelling polymer composition ANGIOTECH INTERNATIONAL AG 2016-05-03 US disclosed
US-9326934-B2 Drug delivery from rapid gelling polymer composition ANGIOTECH INTERNATIONAL AG 2016-05-03 US disclosed
US-20150152114-A1 PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR A TRIAZOLOPYRIMIDINE CARBONUCLEOSIDE ENANTIA, S.L. (ES) 2015-06-04 US disclosed
US-20130289235-A1 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2013-10-31 US disclosed
US-20130289235-A1 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2013-10-31 US disclosed
US-8486437-B2 Multifunctional compounds for forming crosslinked biomaterials and methods of preparation and use ANGIOTECH PHARMACEUTICALS (US), INC. (US) 2013-07-16 US disclosed
US-8486437-B2 Multifunctional compounds for forming crosslinked biomaterials and methods of preparation and use ANGIOTECH PHARMACEUTICALS (US), INC. (US) 2013-07-16 US disclosed
US-8481073-B2 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIODEVICE INTERNATIONAL GMBH (CH) 2013-07-09 US disclosed
US-8067031-B2 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIODEVICE INTERNATIONAL GMBH (CH) 2011-11-29 US disclosed
US-8067031-B2 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIODEVICE INTERNATIONAL GMBH (CH) 2011-11-29 US disclosed
US-20100092536-A1 IMPLANTABLE SENSORS AND IMPLANTABLE PUMPS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2010-04-15 US disclosed
US-20100092536-A1 IMPLANTABLE SENSORS AND IMPLANTABLE PUMPS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2010-04-15 US disclosed
US-20090214652-A1 SOFT TISSUE IMPLANTS AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2009-08-27 US disclosed
US-20090203632-A1 COMPOSITIONS AND METHODS FOR TREATING CONTRACTURE ANGIOTECH INTERNATIONAL AG (CH) 2009-08-13 US disclosed
US-20090192214-A1 DRUG DELIVERY FROM RAPID GELLING POLYMER COMPOSITION ANGIOTECH INTERNATIONAL AG (CH) 2009-07-30 US disclosed
US-20080312315-A1 Multifunctional Compounds for Forming Crosslinked Biomaterials and Methods of Preparation and Use ANGIOTECH PHARMACEUTICALS(US),INC. (US) 2008-12-18 US disclosed
US-20080312315-A1 Multifunctional Compounds for Forming Crosslinked Biomaterials and Methods of Preparation and Use ANGIOTECH PHARMACEUTICALS(US),INC. (US) 2008-12-18 US disclosed
US-20080058579-A1 Compositions and methods for treating disease utilizing a combination of radioactive therapy and cell-cycle inhibitors ANGIOTECH INTERNATIONAL AG (CH) 2008-03-06 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 (6 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-20090203632-A1 COMPOSITIONS AND METHODS FOR TREATING CONTRACTURE COL2A1, FN1, TNNC1 ALDH1A1 3282/4885HPGD 629/4885ATM 2621/4885
US-20150152114-A1 PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR A TRIAZOLOPYRIMIDINE CARBONUCLEOSIDE NUDT1, DUT, UMPS ALDH1A1 1625/4885HPGD 574/4885ATM 2922/4885
US-20090214652-A1 SOFT TISSUE IMPLANTS AND ANTI-SCARRING AGENTS MMP1, COL2A1, FN1 ALDH1A1 1677/4885HPGD 787/4885ATM 3124/4885
US-20100092536-A1 IMPLANTABLE SENSORS AND IMPLANTABLE PUMPS AND ANTI-SCARRING AGENTS MMP1, CDKN1A, MKI67 ALDH1A1 1386/4885HPGD 871/4885ATM 2501/4885
US-20090192214-A1 DRUG DELIVERY FROM RAPID GELLING POLYMER COMPOSITION PGF, VCAM1, COL14A1 ALDH1A1 1262/4885HPGD 543/4885ATM 2760/4885
US-20080312315-A1 Multifunctional Compounds for Forming Crosslinked Biomaterials and Methods of Preparation and Use ILK, PLOD3, MMP1 ALDH1A1 268/4885HPGD 628/4885ATM 1738/4885

“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.