SCHEMBL426941

SCHEMBL426941

C=CCc1cccc2c1ccc1c(C(=O)OCC)nc(C)n12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ELANE P08246 10/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
CYP1A2 P05177 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL425927 0.90 ELANE (0.40) KDM4EELANEF2PLAUCYP1A2
SCHEMBL430191 0.80 GABRA1 (0.44) KDM4EHSD17B10ELANELMNAMAPK1
SCHEMBL427849 0.80 KDM4E (0.54) KDM4EHSD17B10ELANELMNAMAPK1
SCHEMBL430236 0.70 RXFP1 (0.50) KDM4EELANEMAPK1F2PLAU
SCHEMBL427098 0.70 GABRA5 (0.45) ELANEF2PLAUMEN1KMT2A
SCHEMBL427160 0.70 HTR1A (0.51)
SCHEMBL428070 0.69 KDM4E (0.41) KDM4EELANELMNAF2PLAU
SCHEMBL430718 0.69 L3MBTL1 (0.48) LMNAMEN1KMT2AALDH1A1
SCHEMBL4251896 0.66 TSHR (0.62) KDM4EHSD17B10LMNAMAPK1CYP1A2
SCHEMBL428015 0.66 KDM4E (0.42) KDM4EHSD17B10ELANELMNAMAPK1

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 KDM4E 3168/4885HSD17B10 1006/4885ELANE 4700/4885

“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.