SCHEMBL3311607

SCHEMBL3311607

O=C(O)Cn1cc(C2C=CCC2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL3311810 0.87 MEN1 (0.42)
SCHEMBL13332622 0.76 MEN1 (0.40)
SCHEMBL3304086 0.71 HDAC6 (0.36) TOP2ATOP2BHDAC6
SCHEMBL3310491 0.70 MEN1 (0.46)
SCHEMBL13333007 0.68 TNF (0.47)
SCHEMBL3308032 0.66 IDO1 (0.36)
SCHEMBL3310794 0.57 ALDH1A1 (0.41)
SCHEMBL12480559 0.56 KDM4E (0.43)
SCHEMBL13953886 0.56 KDM1A (0.42)
SCHEMBL11818302 0.55 SMN1; SMN2 (0.47)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 TOP2A 3268/4885TOP2B 3411/4885HDAC6 3143/4885

“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.