SCHEMBL12430407

SCHEMBL12430407

O/N=C1\c2ccccc2-c2c1cccc2-c1nc2cnccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.47
HSP90AB1 P08238 4/20 0.45
KDM4E B2RXH2 5/20 0.42
RAB9A P51151 5/20 0.42
F7 P08709 1/20 0.41
LDHA P00338 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 5/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
METAP2 P50579 2/20 0.40
NPC1 O15118 4/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR55 Q9Y2T6 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
SCHEMBL12430434 1.00 PDE5A (0.47) PDE5AHSP90AB1KDM4ERAB9AF7
SCHEMBL2308803 0.91 PDE5A (0.57) PDE5AHSP90AB1KDM4ERAB9AALDH1A1
SCHEMBL2313200 0.91 PDE5A (0.57) PDE5AHSP90AB1KDM4ERAB9AALDH1A1
SCHEMBL2308802 0.91 PDE5A (0.57) PDE5AHSP90AB1KDM4ERAB9AALDH1A1
SCHEMBL2312689 0.88 PDE5A (0.44) PDE5AHSP90AB1KDM4ERAB9ALDHA
SCHEMBL2312687 0.88 PDE5A (0.44) PDE5AHSP90AB1KDM4ERAB9ALDHA
SCHEMBL2309662 0.87 RAB9A (0.55) KDM4ERAB9AF7ALDH1A1NPC1
SCHEMBL2309658 0.87 RAB9A (0.55) KDM4ERAB9AF7ALDH1A1NPC1
SCHEMBL12431585 0.87 RAB9A (0.55) KDM4ERAB9AF7ALDH1A1NPC1
SCHEMBL12431584 0.81 PDE5A (0.47) PDE5AHSP90AB1KDM4ERAB9ALDHA

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 PDE5A 2779/4885HSP90AB1 2/4885KDM4E 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.