SCHEMBL428070

SCHEMBL428070

C=CCc1cccc2c1ccc1c(C(=O)OC)nnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
PKM P14618 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
TP53 P04637 2/20 0.35
PTGER4 P35408 1/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL429347 0.90 KDM4E (0.37) KDM4EMEN1KMT2APKMRXFP1
SCHEMBL427849 0.89 KDM4E (0.54) KDM4EPKMRXFP1TP53MAPT
SCHEMBL430236 0.79 RXFP1 (0.50) KDM4EMEN1KMT2APKMRXFP1
SCHEMBL30314741 0.72 TP53 (0.46) KDM4ERXFP1SMN1; SMN2CYP1A2TP53
SCHEMBL430191 0.69 GABRA1 (0.44) KDM4ELMNAF2PLAUELANE
SCHEMBL426941 0.69 KDM4E (0.43) KDM4EMEN1KMT2ARXFP1CYP1A2
SCHEMBL429354 0.69 GABRA1 (0.38) KDM4EMEN1KMT2APKMSMN1; SMN2
SCHEMBL7561544 0.68 L3MBTL1 (0.51) KDM4EMEN1KMT2APKMSMN1; SMN2
Hydrochloric Acid SCHEMBL7426893 0.67 L3MBTL1 (0.50) KDM4EMEN1KMT2APKMSMN1; SMN2
SCHEMBL10313020 0.66 NPSR1 (0.40) 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 3168/4885MEN1 4304/4885KMT2A 894/4885

“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.