SCHEMBL2182797

SCHEMBL2182797

CN1CCC(O)(CNc2ccccc2C(=O)Nn2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
NTSR1 P30989 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
CXCR3 P49682 1/20 0.34

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
SCHEMBL12411705 0.82 CHEK2 (0.40) HRH4PDGFRBFGFR1KDRCHEK2
SCHEMBL2182799 0.81 CHEK2 (0.37) HRH4MMP2MMP3MMP9MMP13
SCHEMBL12411957 0.77 BTK (0.36) HCRTR1HCRTR2PDGFRBFGFR1KDR
SCHEMBL2183348 0.76 CHEK2 (0.36) HRH4CXCR3PDGFRBFGFR1KDR
SCHEMBL2183315 0.76 CHEK2 (0.41) MMP2MMP3MMP9MMP13CHEK2
SCHEMBL2183903 0.75 CHEK2 (0.40) MMP2MMP3MMP9MMP13PRMT5
SCHEMBL2182794 0.74 CHEK2 (0.34) HRH4MMP2MMP3MMP9MMP13
SCHEMBL2183424 0.72 FGFR1 (0.33) HRH4CXCR3AMY1ANPY5RPDGFRB
SCHEMBL12411910 0.70 BTK (0.35) PDPK1
SCHEMBL12411976 0.70 CHEK2 (0.36) KDM4EMEN1ALDH1A1LMNAMAPT

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 2 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

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 KDM4E 4702/4885MEN1 4870/4885ALDH1A1 1673/4885

“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.