SCHEMBL2313686

SCHEMBL2313686

O=C1c2cc([N+](=O)[O-])ccc2-c2c1cccc2-c1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.55
MMP9 P14780 2/20 0.55
MMP8 P22894 2/20 0.55
NPBWR1 P48145 9/20 0.55
AMY1A P0DUB6 2/20 0.51
MAPT P10636 5/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPRC P08575 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CES1 P23141 1/20 0.49
S100A4 P26447 1/20 0.49
F7 P08709 1/20 0.48
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL2314062 0.83 NPC1 (0.57) AMY1AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2312079 0.81 AMY1A (0.49) AMY1AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2312127 0.81 NPC1 (0.52) AMY1AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4487881 0.80 MMP2 (0.66) MMP2MMP9MMP8NPBWR1AMY1A
SCHEMBL4487886 0.80 NPBWR1 (0.76) MMP2MMP9MMP8NPBWR1AMY1A
SCHEMBL3836178 0.78 NPBWR1 (0.73) MMP2MMP9MMP8NPBWR1MAPT
SCHEMBL29568028 0.78 NPBWR1 (0.73) MMP2MMP9MMP8NPBWR1AMY1A
SCHEMBL29886712 0.78 NPBWR1 (0.73) MMP2MMP9MMP8NPBWR1MAPT
SCHEMBL2689294 0.78 NPBWR1 (0.73) MMP2MMP9MMP8NPBWR1AMY1A
SCHEMBL3334644 0.78 NPBWR1 (0.73) MMP2MMP9MMP8NPBWR1AMY1A

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 3 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

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 MMP2 4030/4885MMP9 4530/4885MMP8 2609/4885

“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.