SCHEMBL425927

SCHEMBL425927

CCOC(=O)c1nc(C)n2c1ccc1c(CC=O)cccc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.40
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL426941 0.90 KDM4E (0.43) ELANEF2PLAUCYP1A2MEN1
SCHEMBL427098 0.80 GABRA5 (0.45) ELANEF2PLAUMEN1KMT2A
SCHEMBL430236 0.80 RXFP1 (0.50) ELANEF2PLAUMEN1KMT2A
SCHEMBL427160 0.71 HTR1A (0.51)
SCHEMBL430191 0.70 GABRA1 (0.44) ELANEF2PLAUKDM4E
SCHEMBL427849 0.70 KDM4E (0.54) ELANEF2PLAURXFP1KDM4E
SCHEMBL428348 0.70 SMN1; SMN2 (0.48)
SCHEMBL429347 0.68 KDM4E (0.37) ELANEF2PLAUCYP1A2MEN1
SCHEMBL30310897 0.66 SLC5A1 (0.44) ELANEMEN1KMT2AKDM4E
SCHEMBL26074836 0.66 SLC5A1 (0.44) ELANEMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 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 (1 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE ELANE 4700/4885F2 488/4885PLAU 3682/4885

“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.