SCHEMBL2079633

SCHEMBL2079633

ON=C1c2ccccc2-c2c1cccc2-c1ccc(N2CCOCC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.60
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
PDE10A Q9Y233 1/20 0.44
TDO2 P48775 1/20 0.44
CNR1 P21554 1/20 0.43
RET P07949 1/20 0.42
ATR Q13535 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2079630 1.00 CNR2 (0.60) CNR2BRD4CREBBPPDE10ATDO2
SCHEMBL2079150 0.83 CNR2 (0.63) CNR2BRD4CREBBPPDE10ATDO2
SCHEMBL27776594 0.78 CNR2 (0.54) CNR2BRD4CREBBPTDO2
SCHEMBL3249571 0.76 CNR2 (1.00) CNR2TDO2CNR1
SCHEMBL27755762 0.75 CNR2 (0.56) CNR2BRD4CREBBPTDO2RET
SCHEMBL3800136 0.74 CNR2 (0.55) CNR2BRD4CREBBPATRALDH1A1
SCHEMBL29195938 0.74 CNR2 (0.64) CNR2BRD4CREBBPTDO2ATR
SCHEMBL16773016 0.73 CNR2 (0.69) CNR2ATRALDH1A1
SCHEMBL3648791 0.73 CNR2 (0.66) CNR2BRD4CREBBPTDO2RET
SCHEMBL3239421 0.73 CNR2 (0.66) CNR2BRD4CREBBPTDO2ATR

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-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP disclosed
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US disclosed
EP-2078009-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 Sanofi-Aventis (FR) 2009-07-15 EP disclosed
WO-2008049994-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2008-05-02 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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 CNR2 4210/4885BRD4 2803/4885CREBBP 815/4885

“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.