SCHEMBL2315076

SCHEMBL2315076

COc1ccc2[nH]c(-c3cccc4c3-c3ccccc3C4=O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.54
KDR P35968 1/20 0.54
TP53 P04637 2/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
AMY1A P0DUB6 4/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL2311452 0.90 AURKA (0.65) AURKAKDRTP53NPC1RAB9A
SCHEMBL2314881 0.85 RUNX1 (0.46) AURKAKDRRUNX1POLB
SCHEMBL4496832 0.84 NPC1 (0.57) AURKAKDRTP53NPC1RAB9A
SCHEMBL2309853 0.82 SMN1; SMN2 (0.49) AURKAKDRTP53NPC1RAB9A
SCHEMBL2309852 0.82 SMN1; SMN2 (0.49) AURKAKDRTP53NPC1RAB9A
SCHEMBL2310207 0.81 SMN1; SMN2 (0.51) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2310193 0.81 RAB9A (0.44) KDRNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2316908 0.81 AMY1A (0.49) AURKAKDRTP53NPC1RAB9A
SCHEMBL2314062 0.80 NPC1 (0.57) KDRTP53NPC1RAB9AKDM4E
SCHEMBL8564795 0.80 NPC1 (0.50) AURKAKDRTP53NPC1RAB9A

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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US disclosed
EP-1888579-A2 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF Aventis Pharma S.A. (FR) 2008-02-20 EP disclosed
WO-2006123061-A2 FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-23 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 AURKA 2093/4885KDR 3853/4885TP53 65/4885

“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.