SCHEMBL430744

SCHEMBL430744

C=CCc1c(C)ccc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1B1 Q16678 1/20 0.39
HSP90AA1 P07900 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AB1 P08238 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ERN1 O75460 1/20 0.37

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
SCHEMBL5583739 0.81 ERN1 (0.51) MAPTKDM4ECYP1A2TSHRLMNA
SCHEMBL3956275 0.80 MAPT (0.43) MAPTKDM4ECYP1A2TSHRLMNA
SCHEMBL16300444 0.80 MAPT (0.54) MAPTKDM4ECYP1A2TSHRLMNA
SCHEMBL26499887 0.79 GAA (0.40) MAPTKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL27707624 0.77 KDM4E (0.50) MAPTKDM4ECYP1A2TSHRLMNA
SCHEMBL14456656 0.76 CNR2 (0.40) MAPTKDM4ECYP1A2TSHRLMNA
SCHEMBL20562318 0.75 MAPT (0.48) MAPTKDM4ECYP1A2TSHRLMNA
SCHEMBL21699575 0.75 MAPT (0.52) MAPTKDM4ECYP1A2TSHRLMNA
SCHEMBL23742574 0.73 MAPT (0.50) MAPTKDM4ECYP1A2TSHRLMNA
SCHEMBL5583730 0.73 LTA4H (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1CYP3A4

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 3 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
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 MAPT 1090/4885KDM4E 3168/4885CYP1A2 139/4885

“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.