SCHEMBL429347

SCHEMBL429347

COC(=O)c1nnn2c1ccc1c(CC=O)cccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
TP53 P04637 1/20 0.36
PTGER4 P35408 1/20 0.36
ELANE P08246 3/20 0.35
F2 P00734 2/20 0.35
PLAU P00749 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 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
SCHEMBL428070 0.90 KDM4E (0.41) KDM4ERXFP1SMN1; SMN2CYP1A2TP53
SCHEMBL430236 0.89 RXFP1 (0.50) KDM4ERXFP1TP53ELANEF2
SCHEMBL427849 0.79 KDM4E (0.54) KDM4ERXFP1TP53ELANEF2
SCHEMBL30314741 0.73 TP53 (0.46) KDM4ERXFP1SMN1; SMN2CYP1A2TP53
SCHEMBL429522 0.70 HPGD (0.33)
SCHEMBL4050015 0.68 ELANE (0.49) KDM4EELANEF2PLAU
SCHEMBL427098 0.68 GABRA5 (0.45) ELANEF2PLAUMEN1KMT2A
SCHEMBL425927 0.68 ELANE (0.40) KDM4ERXFP1CYP1A2ELANEF2
SCHEMBL428348 0.66 SMN1; SMN2 (0.48) SMN1; SMN2
SCHEMBL10313046 0.65 NPSR1 (0.41) KDM4ESMN1; SMN2CYP1A2TP53PTGER4

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 3168/4885RXFP1 657/4885SMN1; SMN2 3271/4885

“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.