SCHEMBL2183446

SCHEMBL2183446

NCC(CO)Oc1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.36
CHEK2 O96017 7/20 0.35
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
F7 P08709 1/20 0.33
PARP1 P09874 3/20 0.33
F2 P00734 2/20 0.33
F10 P00742 2/20 0.33
PLG P00747 2/20 0.33
PLAU P00749 2/20 0.33
PLAT P00750 2/20 0.33
PRSS1 P07477 1/20 0.33
BTK Q06187 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL12411616 0.87 F10 (0.37) AMY1ACHEK2MMP2MMP3MMP9
SCHEMBL2185941 0.84 CHEK2 (0.42) AMY1ACHEK2MMP2MMP3MMP9
SCHEMBL2181319 0.84 CHEK2 (0.37) AMY1ACHEK2MMP2MMP3MMP9
SCHEMBL2180286 0.83 AMY1A (0.40) AMY1ACHEK2HDAC6PARP1F2
SCHEMBL2182007 0.83 CHEK2 (0.41) AMY1ACHEK2F7PARP1F2
SCHEMBL12411866 0.83 CHEK2 (0.36) AMY1ACHEK2MMP2MMP3MMP9
SCHEMBL2185287 0.81 CHEK2 (0.38) AMY1ACHEK2F7PARP1CYP1A2
SCHEMBL2179755 0.81 CHEK2 (0.38) AMY1ACHEK2MMP2MMP3MMP9
SCHEMBL2184560 0.81 CHEK2 (0.38) AMY1ACHEK2F7PARP1F2
SCHEMBL3430276 0.81 CYP1A2 (0.37) AMY1ACHEK2MMP2MMP3MMP9

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 8 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-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
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 AMY1A 3371/4885CHEK2 2483/4885MMP2 3834/4885

“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.