SCHEMBL2183791

SCHEMBL2183791

N#Cc1cccc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)c1NCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
RAD52 P43351 2/20 0.40
HSP90AA1 P07900 4/20 0.37
KDM4E B2RXH2 6/20 0.36
GLA P06280 5/20 0.36
GAA P10253 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
ATM Q13315 2/20 0.36
MERTK Q12866 1/20 0.35
LMNA P02545 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MITF O75030 1/20 0.32
TTR P02766 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2181396 0.90 MEN1 (0.35) POLBHSP90AA1KDM4EGLAGAA
SCHEMBL2185300 0.88 HSP90AA1 (0.34) HSP90AA1PDGFRBPDGFRA
SCHEMBL2185381 0.88 MTOR (0.36) HSP90AA1PDE10A
SCHEMBL2182391 0.85 PDGFRB (0.40) HSP90AA1ATMPDGFRBPDGFRAATR
SCHEMBL2183658 0.81 PDGFRB (0.38) HSP90AA1ATMPDGFRBPDGFRAATR
SCHEMBL27851826 0.77 HSP90AA1 (0.34) HSP90AA1PDGFRBPDGFRA
SCHEMBL3431477 0.76 HSP90AA1 (0.37) POLBHSP90AA1KDM4EGAAALDH1A1
SCHEMBL3433972 0.75 PDGFRB (0.38) HSP90AA1ATMPDGFRBPDGFRARAB9A
SCHEMBL2184471 0.74 HSP90AA1 (0.61) HSP90AA1
SCHEMBL2181737 0.73 CYP11B1 (0.42) HSP90AA1ATMPDGFRBPDGFRAPDE10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US disclosed
EP-2265598-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-Aventis (FR) 2010-12-29 EP disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 POLB 3577/4885RAD52 2474/4885HSP90AA1 3/4885

“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.