SCHEMBL2308802

SCHEMBL2308802

O/N=C1/c2ccccc2-c2c1cccc2-c1nc2ccncc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.57
HSP90AB1 P08238 4/20 0.53
METAP1 P53582 2/20 0.49
METAP2 P50579 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPSE Q9Y251 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
AURKA O14965 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
RPS6KA5 O75582 1/20 0.40

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
SCHEMBL2308803 1.00 PDE5A (0.57) PDE5AHSP90AB1METAP1METAP2ADORA3
SCHEMBL2313200 1.00 PDE5A (0.57) PDE5AHSP90AB1METAP1METAP2ADORA3
SCHEMBL12430407 0.91 PDE5A (0.47) PDE5AHSP90AB1METAP1METAP2ALDH1A1
SCHEMBL12430434 0.91 PDE5A (0.47) PDE5AHSP90AB1METAP1METAP2ALDH1A1
SCHEMBL2309662 0.85 RAB9A (0.55) ALDH1A1KDM4EPKMHPGDRAB9A
SCHEMBL12431585 0.85 RAB9A (0.55) ALDH1A1KDM4EPKMHPGDRAB9A
SCHEMBL2309658 0.85 RAB9A (0.55) ALDH1A1KDM4EPKMHPGDRAB9A
SCHEMBL2312523 0.82 PDE5A (0.60) PDE5AHSP90AB1METAP1METAP2ADORA3
SCHEMBL2317808 0.80 CBFB (0.50) ALDH1A1KDM4EPKMHPGDRAB9A
SCHEMBL3554269 0.80 CDK1 (0.43) HSP90AB1ALDH1A1KDM4EHPGDRAB9A

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 10 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 claimed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US claimed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US claimed
EP-1888579-A2 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF Aventis Pharma S.A. (FR) 2008-02-20 EP claimed
WO-2006123061-A2 FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-23 WO claimed
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 PDE5A 2779/4885HSP90AB1 2/4885METAP1 4439/4885

“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.