SCHEMBL2028618

SCHEMBL2028618

O=[N+]([O-])NOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.39
PIN1 Q13526 2/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MGMT P16455 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8720456 0.77 TSHR (0.48) NPC1RAB9ATSHRMAPTIDO1
SCHEMBL22529366 0.74 NPC1 (0.46) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL9517958 0.72 LMNA (0.41) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL156310 0.72 TSHR (0.48) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL6175561 0.72 NPC1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3359456 0.72 MAPK1 (0.51) NPC1RAB9AMEN1KMT2AMAPT
Ammonia Solution, Strong SCHEMBL11782377 0.71 TSHR (0.46) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL27502228 0.71 LMNA (0.39) NPC1RAB9ATSHRMEN1KMT2A
Ammonia Solution, Strong SCHEMBL27855921 0.71 LMNA (0.39) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL27916932 0.71 TSHR (0.46) NPC1RAB9ATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST NOVO NORDISK HEALTHCARE AG (CH) 2014-09-18 US disclosed
US-20110170075-A1 DEVICE FOR CHEMICAL AND BIOCHEMICAL REACTIONS USING PHOTO-GENERATED REAGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2011-07-14 US disclosed
EP-2332645-A1 Apparatus for chemical and biochemical reactions using photo-generated reagents THE UNIVERSITY OF HOUSTON (US) 2011-06-15 EP disclosed
US-7838466-B2 Device for chemical and biochemical reactions using photo-generated reagents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-11-23 US disclosed
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest NOVO NORDISK HEALTHCARE A/G (CH) 2010-02-04 US disclosed
US-7544638-B2 Device for chemical and biochemical reactions using photo-generated reagents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-06-09 US disclosed
US-7491680-B2 Device for chemical and biochemical reactions using photo-generated reagents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-02-17 US disclosed
US-20080318806-A1 DEVICE FOR CHEMICAL AND BIOCHEMICAL REACTIONS USING PHOTO-GENERATED REAGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-12-25 US disclosed
US-20080248971-A1 METHOD FOR PROVIDING MICROARRAYS INVITROGEN CORPORATION (US) 2008-10-09 US disclosed
US-20060198819-A1 Use of galactose oxidase for selective chemical conjugation of protractor molecules to proteins of therapeutic interest NOVO NORDISK HEALTHCARE A/G (CH) 2006-09-07 US disclosed
US-20040035690-A1 Method and apparatus for chemical and biochemical reactions using photo-generated reagents THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2004-02-26 US disclosed
US-20040023368-A1 Apparatus for light controlled parallel synthesis of molecular sequence arrays on solid surfaces THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2004-02-05 US disclosed
US-20030186427-A1 Apparatus for selectively converting photogenerated reagent precursors to photogenerated reagents associated with parallel synthesis of molecular sequence arrays on solid surfaces THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2003-10-02 US disclosed
US-20030143131-A1 For parallel synthesis of molecular sequence arrays on solid surfaces THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2003-07-31 US disclosed
EP-1054726-B1 APPARATUS FOR CHEMICAL AND BIOCHEMICAL REACTIONS USING PHOTO-GENERATED REAGENTS UNIV HOUSTON OFFICE OF TECHNOL (US) 2003-07-30 EP disclosed
EP-1258288-A2 Method and apparatus for chemical and biochemical reactions using photo-generated reagents THE UNIVERSITY OF HOUSTON (US) 2002-11-20 EP disclosed
US-6426184-B1 MAKING MULTIMERS SUCH AS DNA OR PEPTIDES IN CHEMICAL REACTOR BY SOLUTION-BASED PHOTOCHEMICAL REACTIONS INVOLVING REAGENTS GENERATED IN SITU BY IRRADIATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-30 US disclosed
US-20020081582-A1 Making multimers such as DNA or peptides in chemical reactor by solution-based photochemical reactions involving reagents generated in situ by irradiation REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2002-06-27 US disclosed
EP-1054726-A2 METHOD AND APPARATUS FOR CHEMICAL AND BIOCHEMICAL REACTIONS USING PHOTO-GENERATED REAGENTS THE UNIVERSITY OF HOUSTON (US) 2000-11-29 EP disclosed
WO-1999041007-A2 METHOD AND APPARATUS FOR CHEMICAL AND BIOCHEMICAL REACTIONS USING PHOTO-GENERATED REAGENTS UNIVERSITY OF HOUSTON (US) 1999-08-19 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 (4 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-20060198819-A1 Use of galactose oxidase for selective chemical conjugation of protractor molecules to proteins of therapeutic interest GALE, GALNT2, GALNT1 NPC1 4364/4885RAB9A 2751/4885TSHR 1226/4885
US-20040035690-A1 Method and apparatus for chemical and biochemical reactions using photo-generated reagents PPOX, LIG4, AOX1 NPC1 4768/4885RAB9A 4376/4885TSHR 1371/4885
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 NPC1 4364/4885RAB9A 2751/4885TSHR 1226/4885
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest GALE, GALNT2, GALNT1 NPC1 4364/4885RAB9A 2751/4885TSHR 1226/4885

“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.