SCHEMBL2314868

SCHEMBL2314868

c1ccc(CN/N=C2\c3ccccc3-c3c2cccc3-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PDE5A O76074 3/20 0.38
HSP90AB1 P08238 4/20 0.38
SYK P43405 1/20 0.36
METAP2 P50579 1/20 0.34
F3 P13726 4/20 0.34
LDHA P00338 1/20 0.33
EPHX2 P34913 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL2314872 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL12430407 0.80 PDE5A (0.47) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL2312687 0.80 PDE5A (0.44) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL2312689 0.80 PDE5A (0.44) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL12430434 0.80 PDE5A (0.47) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL13437142 0.78 PDE5A (0.39) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL12431584 0.74 PDE5A (0.47) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL2308803 0.72 PDE5A (0.57) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL2308802 0.72 PDE5A (0.57) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL2313200 0.72 PDE5A (0.57) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1

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 8 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
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
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 SMN1; SMN2 1564/4885KDM4E 3419/4885RAB9A 1012/4885

“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.