SCHEMBL2183104

SCHEMBL2183104

COc1cncc(-c2cccc3[nH]c4ccccc4c23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 5/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44
GABRA1 P14867 3/20 0.44
GABRB1 P18505 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRA4 P48169 3/20 0.44

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
SCHEMBL2183542 0.82 GABRA1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17714809 0.76 CDK4 (0.43) CYP11B1CYP11B2KDM4EALDH1A1MAPT
SCHEMBL7011449 0.76 GABRP (0.49) CYP11B1CYP11B2KDM4EMEN1ALDH1A1
SCHEMBL6570848 0.75 KDM4E (0.55) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL27852043 0.75 GABRP (0.52) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL26729883 0.73 IMPDH2 (0.53) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL26731340 0.72 GABRA1 (0.49) KDM4EALDH1A1HPGDHSD17B10GABRP
SCHEMBL1177888 0.71 IMPDH2 (0.55) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL1669833 0.71 IMPDH2 (0.55) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL31664385 0.71 IMPDH2 (0.55) KDM4EALDH1A1MAPTHPGDHSD17B10

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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US disclosed
CN-102026992-A Novel HSP90 inhibitory carbazole derivatives, compositions containing the same and uses thereof SANOFI AVENTIS 2011-04-20 CN 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 CYP11B1 241/4885CYP11B2 127/4885KDM4E 4702/4885

“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.