SCHEMBL362121

SCHEMBL362121

O=C(O)c1ncc(Br)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PLAU P00749 1/20 0.44
HCAR2 Q8TDS4 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
KMO O15229 3/20 0.35
PKM P14618 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL29837373 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EPLAUHCAR2POLB
SCHEMBL17224852 0.84 PLAU (0.44) ALDH1A1KDM4EPLAUHCAR2POLB
SCHEMBL18335071 0.82 PLAU (0.43) ALDH1A1KDM4EPLAUHCAR2POLB
SCHEMBL13119985 0.82 PLAU (0.51) ALDH1A1KDM4EPLAUHCAR2POLB
SCHEMBL1105993 0.80 MEN1 (0.43) ALDH1A1KDM4EHCAR2POLBMEN1
SCHEMBL17224828 0.79 PLAU (0.41) ALDH1A1KDM4EPLAUHCAR2POLB
SCHEMBL287761 0.79 LMNA (0.47) ALDH1A1PLAUHCAR2MEN1KMT2A
SCHEMBL4976345 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EHCAR2POLBMEN1
SCHEMBL23447525 0.78 PLAU (0.40) ALDH1A1KDM4EPLAUHCAR2POLB
SCHEMBL14721215 0.78 NPSR1 (0.41) ALDH1A1KDM4EPLAUPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663561-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2016-03-16 EP claimed
CN-105218437-A The synthetic method of a kind of 3-chloro-5-bromo-2-pyridyl formic acid GAO DAYUAN 2016-01-06 CN claimed
US-20150203481-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2015-07-23 US claimed
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP claimed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
US-8865712-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-10-21 US claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US claimed
US-20140107118-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2014-04-17 US claimed
US-8637508-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-01-28 US claimed
EP-2663561-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
CN-103403001-A Novel heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2013-11-20 CN claimed
CN-102666507-A Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2012-09-12 CN claimed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP claimed
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-07-19 US claimed
WO-2012095469-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP claimed
CN-102471293-A Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG 2012-05-23 CN claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed

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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP ALDH1A1 2685/4885KDM4E 3316/4885PLAU 1912/4885
US-20150203481-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 ALDH1A1 627/4885KDM4E 3106/4885PLAU 1537/4885
US-20140107118-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 ALDH1A1 627/4885KDM4E 3106/4885PLAU 1537/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C ALDH1A1 508/4885KDM4E 3548/4885PLAU 1479/4885
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 ALDH1A1 627/4885KDM4E 3106/4885PLAU 1537/4885

“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.