SCHEMBL12430893

SCHEMBL12430893

O=C(NC1c2ccccc2-c2c(-c3nc4ccncc4[nH]3)cccc21)C1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.68
PDE5A O76074 3/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
HPSE Q9Y251 1/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.35
CHEK2 O96017 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL13437170 0.85 HSP90AB1 (0.67) HSP90AB1PDE5AKMT2ASMN1; SMN2MEN1
SCHEMBL12430606 0.84 HSP90AB1 (0.80) HSP90AB1PDE5ASMN1; SMN2METAP2METAP1
SCHEMBL13437152 0.83 HSP90AB1 (0.60) HSP90AB1PDE5ACHEK2
SCHEMBL13437166 0.81 HSP90AB1 (1.00) HSP90AB1PDE5AKMT2ASMN1; SMN2MEN1
SCHEMBL2314870 0.81 HSP90AB1 (0.75) HSP90AB1PDE5ASMN1; SMN2METAP2METAP1
SCHEMBL13437167 0.80 HSP90AB1 (0.85) HSP90AB1PDE5AKMT2ASMN1; SMN2MEN1
SCHEMBL12431194 0.80 HSP90AB1 (0.79) HSP90AB1PDE5ASMN1; SMN2METAP2METAP1
SCHEMBL12430894 0.79 HSP90AB1 (0.78) HSP90AB1PDE5AKMT2ASMN1; SMN2MEN1
SCHEMBL12430906 0.79 HSP90AB1 (0.78) HSP90AB1PDE5ASMN1; SMN2METAP2METAP1
SCHEMBL13437212 0.79 HSP90AB1 (0.78) HSP90AB1PDE5ASMN1; SMN2METAP2METAP1

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
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 HSP90AB1 2/4885PDE5A 2779/4885KMT2A 3961/4885

“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.