SCHEMBL12430427

SCHEMBL12430427

CCOC(=O)NC1c2ccccc2-c2c(-c3nc4cnccc4[nH]3)cccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.60
DGAT1 O75907 1/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
PDE5A O76074 4/20 0.37
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
POLB P06746 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ATM Q13315 1/20 0.35
RAB9A P51151 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
SCHEMBL19556863 0.84 HSP90AB1 (0.69) HSP90AB1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL19556862 0.83 HSP90AB1 (0.71) HSP90AB1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL17169737 0.81 HSP90AB1 (0.86) HSP90AB1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL19556649 0.81 HSP90AB1 (0.68) HSP90AB1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13437182 0.81 HSP90AB1 (0.66) HSP90AB1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13437183 0.81 HSP90AB1 (0.63) HSP90AB1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13437181 0.81 HSP90AB1 (0.63) HSP90AB1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL21477061 0.81 HSP90AB1 (0.58) HSP90AB1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13437191 0.81 HSP90AB1 (0.64) HSP90AB1KDM4EALDH1A1MAPTPDE5A
SCHEMBL12431594 0.81 HSP90AB1 (0.58) HSP90AB1KDM4EALDH1A1GAASMN1; SMN2

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 2/4885DGAT1 2415/4885KDM4E 3419/4885

“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.