SCHEMBL430838

SCHEMBL430838

Cc1ccc2c(c1O)CCC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
NPC1 O15118 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PKM P14618 4/20 0.38
ALDH1A1 P00352 1/20 0.38
KIF11 P52732 2/20 0.37
HTR1A P08908 2/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
OPRK1 P41145 1/20 0.35

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
Trifluoromethanesulfonic Acid SCHEMBL432556 0.87 KIF11 (0.38) BRD4BRD2BRD3BRDTPKM
SCHEMBL16110909 0.79 NPC1 (0.39) BRD4NPC1MAPK13MAPK12MAPK11
SCHEMBL10572841 0.79 NPC1 (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL24427464 0.79 PKM (0.41) BRD4NPC1MAPK13MAPK12MAPK11
SCHEMBL24427466 0.79 PKM (0.41) BRD4NPC1MAPK13MAPK12MAPK11
SCHEMBL10274493 0.76 CYP1A2 (0.38) BRD4NPC1MAPK13MAPK12MAPK11
SCHEMBL9652397 0.75 CYP2C9 (0.35) BRD4BRD2BRD3BRDTNPC1
SCHEMBL6382680 0.74 POLB (0.38) BRD4NPC1ALDH1A1MAPTRAB9A
SCHEMBL1764170 0.74 NPC1 (0.50) BRD4NPC1MAPK13MAPK12MAPK11
SCHEMBL29754448 0.74 NPC1 (0.50) BRD4NPC1MAPK13MAPK12MAPK11

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 7 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
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN 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
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US 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 BRD4 1603/4885BRD2 2464/4885BRD3 2372/4885

“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.