SCHEMBL12411482

SCHEMBL12411482

NC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5cc(F)ccc5[nH]4)cccc32)cc1N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.38
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHEK2 O96017 2/20 0.35
HSP90AA1 P07900 3/20 0.34
BTK Q06187 1/20 0.33
F7 P08709 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2182007 0.93 CHEK2 (0.41) PARP1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2185941 0.85 CHEK2 (0.42) PARP1CHEK2F7
SCHEMBL12411919 0.85 HSP90AA1 (0.37) PARP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL12411943 0.85 HSP90AA1 (0.43) PARP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL12411976 0.84 CHEK2 (0.36) PARP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL12411927 0.84 RPS6KB1 (0.40) PARP1KMT2AHSP90AA1JAK2
SCHEMBL12500929 0.84 CHEK1 (0.39) CHEK2HSP90AA1
SCHEMBL12411955 0.84 CHEK1 (0.39) CHEK2HSP90AA1
SCHEMBL12411956 0.84 CHEK1 (0.39) CHEK2HSP90AA1
SCHEMBL12411934 0.84 HSP90AA1 (0.39) HSP90AA1

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-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
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
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US 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 PARP1 4296/4885KDM4E 4702/4885MEN1 4870/4885

“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.