SCHEMBL12430888

SCHEMBL12430888

O=C(NCc1ccncc1)C1c2ccccc2-c2c(-c3nc4cnccc4[nH]3)cccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.45
KCNA5 P22460 1/20 0.38
SYK P43405 1/20 0.38
F3 P13726 5/20 0.37
LMNA P02545 1/20 0.37
F2 P00734 1/20 0.37
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL12431618 0.89 HSP90AB1 (0.45) HSP90AB1SMN1; SMN2F3F2KDM4E
SCHEMBL3556234 0.83 HSP90AB1 (0.54) HSP90AB1SMN1; SMN2KDM4ERAB9A
SCHEMBL3556233 0.83 HSP90AB1 (0.54) HSP90AB1SMN1; SMN2KDM4ERAB9A
Hydrochloric Acid SCHEMBL27715985 0.82 HSP90AB1 (0.53) HSP90AB1SMN1; SMN2KDM4ERAB9A
SCHEMBL27263584 0.76 HSP90AB1 (0.53) HSP90AB1SMN1; SMN2KDM4ERAB9A
SCHEMBL12431147 0.76 HSP90AB1 (0.53) HSP90AB1SMN1; SMN2KDM4ERAB9A
SCHEMBL3561945 0.74 HSP90AB1 (0.65) HSP90AB1SMN1; SMN2KDM4ERAB9A
SCHEMBL3561942 0.74 HSP90AB1 (0.65) HSP90AB1SMN1; SMN2KDM4ERAB9A
SCHEMBL13437147 0.74 HSP90AB1 (0.63) HSP90AB1SMN1; SMN2F3KDM4ERAB9A
SCHEMBL13437177 0.74 HSP90AB1 (0.68) HSP90AB1SMN1; SMN2F3F2KDM4E

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 HSP90AB1 2/4885SMN1; SMN2 1564/4885KCNA5 4216/4885

“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.