SCHEMBL10326296

SCHEMBL10326296

Nc1[nH]c(=O)cnc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
PMP22 Q01453 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
RPS6KA3 P51812 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 1/20 0.36
AKR1B1 P15121 1/20 0.36
TSHR P16473 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 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
SCHEMBL392723 0.74 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4ELMNAMEN1
SCHEMBL11597352 0.69 KDM4E (0.40) ALDH1A1HSD17B10KDM4ELMNAPMP22
SCHEMBL71570 0.68
SCHEMBL29799477 0.64 KDM4E (0.38) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL29860451 0.64 PLAU (0.47) ALDH1A1KDM4ELMNACSNK2A1MEN1
SCHEMBL29860558 0.64 LMNA (0.43) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL26963253 0.64 PLAU (0.47) ALDH1A1KDM4ELMNACSNK2A1MEN1
SCHEMBL17501714 0.63 AKR1B1 (0.49) ALDH1A1HSD17B10KDM4ELMNAMEN1
SCHEMBL5433660 0.63 PIN1 (0.38) ALDH1A1TSHRGABRPGABRDGABRA1
SCHEMBL30522209 0.63 PLAU (0.59) ALDH1A1HSD17B10KDM4ECSNK2A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322038-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-11-12 US claimed
CN-102712621-B Pyrazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2015-03-11 CN claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US claimed
CN-103596569-A BACE-2 inhibitors for the treatment of metabolic disorders NOVARTIS AG 2014-02-19 CN claimed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
EP-2519515-B1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2013-11-06 EP claimed
EP-2519515-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-11-07 EP claimed
US-20120277244-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-11-01 US claimed
CN-102712621-A Pyrazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2012-10-03 CN claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
US-20150322038-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-11-12 US disclosed
CN-102712621-B Pyrazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2015-03-11 CN disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
CN-103596569-A BACE-2 inhibitors for the treatment of metabolic disorders NOVARTIS AG 2014-02-19 CN disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
US-20120277244-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-11-01 US disclosed
CN-102712621-A Pyrazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2012-10-03 CN disclosed
CN-102633716-A Bicyclic inhibitors of mek and methods of use thereof ARRAY BIOPHARMA INC 2012-08-15 CN disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
CN-1905873-A Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC (US) 2007-01-31 CN 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 (3 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 2685/4885HSD17B10 247/4885KDM4E 3316/4885
US-20150322038-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS GRIK5, GRIN2C, GRIN2A ALDH1A1 1183/4885HSD17B10 1750/4885KDM4E 3884/4885
US-20120277244-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS GRIK5, GRIN2C, GRIN2A ALDH1A1 843/4885HSD17B10 1638/4885KDM4E 3929/4885

“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.