SCHEMBL3082468

SCHEMBL3082468

CNC(=O)c1ccc(OC)c(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LRRK2 Q5S007 1/20 0.53
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
PLK1 P53350 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
VNN1 O95497 1/20 0.45
HPGD P15428 2/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
S1PR3 Q99500 3/20 0.43

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
SCHEMBL20787410 0.91 LRRK2 (0.56) ALDH1A1LRRK2PLK1SLC6A2SLC6A4
SCHEMBL13568602 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2POLBMAPK1
SCHEMBL13702180 0.85 LRRK2 (0.54) ALDH1A1LRRK2KDM4EUSP2POLB
SCHEMBL105391 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EUSP2VNN1HPGD
SCHEMBL13702316 0.84 LRRK2 (0.54) ALDH1A1LRRK2KDM4EUSP2POLB
SCHEMBL13701824 0.84 LRRK2 (0.54) ALDH1A1LRRK2KDM4EUSP2POLB
Hydrochloric Acid SCHEMBL8506930 0.83 ALDH1A1 (0.49) ALDH1A1LRRK2KDM4EUSP2POLB
SCHEMBL7001839 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EUSP2VNN1HPGD
SCHEMBL1419879 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EUSP2MAPK1HTT
SCHEMBL23716209 0.81 ALDH1A1 (0.55) ALDH1A1LRRK2HPGDS1PR3S1PR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076650-B1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-28 EP disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
US-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7704994-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-27 US disclosed
US-7696193-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-13 US disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 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 (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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX ALDH1A1 376/4885LRRK2 4788/4885KDM4E 1988/4885
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 ALDH1A1 465/4885LRRK2 1052/4885KDM4E 694/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B ALDH1A1 867/4885LRRK2 442/4885KDM4E 572/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B ALDH1A1 867/4885LRRK2 442/4885KDM4E 572/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B ALDH1A1 321/4885LRRK2 422/4885KDM4E 1260/4885

“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.