SCHEMBL361013

SCHEMBL361013

O=[N+]([O-])Cc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
ALOX5 P09917 1/20 0.47
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MAPT P10636 1/20 0.40
ATG4B Q9Y4P1 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9321479 0.85 TSHR (0.45) ALDH1A1TDP1
SCHEMBL12720776 0.81 TAAR1 (0.53) TAAR1ALOX5IDO1AGXTMAOB
SCHEMBL2449499 0.77 CYP2A6 (0.42) MAOBALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2677183 0.76 TSHR (0.67) ALDH1A1TDP1MAPTMEN1POLB
SCHEMBL1015453 0.76 ACHE (0.52) TAAR1IDO1MAOBMAOAALDH1A1
SCHEMBL30485051 0.76 ALDH1A1 (0.52) MAOBMAOAALDH1A1TDP1
SCHEMBL3026505 0.76 ALDH1A1 (0.52) TAAR1IDO1AGXTMAOBMAOA
SCHEMBL11299795 0.76 LOXL2 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL3027821 0.76 TAAR1 (0.47) TAAR1IDO1AGXTMAOBMAOA
SCHEMBL7494852 0.76 ALDH1A1 (0.52) MAOBMAOAALDH1A1TDP1

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-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP disclosed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US disclosed
US-8846658-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CN) 2014-04-24 US disclosed
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS HOLZER PHILIPP (CH) 2014-03-27 US disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20030220369-A1 Heterocyclic sulfonamide derivatives and their use for potentiating glutamate receptor function FORMAN SCOTT LOUIS (US) 2003-11-27 US disclosed
EP-1313719-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
EP-1309577-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2003-05-14 EP disclosed
WO-2002014294-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2002-02-21 WO disclosed
WO-2002014275-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2002-02-21 WO disclosed
US-5696306-A COMPOSITION COMPRISING FLUORINE CONTAINING HYDROCARBON AND STABILIZER COMPRISING SPECIFIED CARBOXYLIC ACID ESTER, NITRILE COMPOUND, CARBONYL COMPOUND, HALOGENATED NITRO COMPOUND OR MIXTURE OF ORGANIC ACID AND AMINE DAIKIN INDUSTRIES, LTD. (JP) 1997-12-09 US disclosed
EP-0714299-A4 1996-07-10 EP disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
EP-0669305-A1 HYDROFLUOROHALOCARBON DECOMPOSITION INHIBITOR AND METHOD DAIKIN INDUSTRIES, LIMITED (JP) 1995-08-30 EP disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 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 (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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP TAAR1 3516/4885ALOX5 4056/4885IDO1 4337/4885
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C TAAR1 751/4885ALOX5 477/4885IDO1 815/4885
US-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C TAAR1 82/4885ALOX5 936/4885IDO1 605/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C TAAR1 751/4885ALOX5 477/4885IDO1 815/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C TAAR1 751/4885ALOX5 477/4885IDO1 815/4885
US-20030220369-A1 Heterocyclic sulfonamide derivatives and their use for potentiating glutamate receptor function GRIN2A, GRIN1, GRIN2B TAAR1 202/4885ALOX5 2463/4885IDO1 3707/4885

“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.