SCHEMBL3272544

SCHEMBL3272544

O=C(C=Cc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1-c1nnn[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
HSP90AA1 P07900 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
MAOB P27338 2/20 0.48
HTT P42858 1/20 0.48
THRB P10828 1/20 0.48
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GPR35 Q9HC97 1/20 0.44
FLT3 P36888 1/20 0.42
P4HB P07237 1/20 0.41
TRPM2 O94759 1/20 0.41

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
SCHEMBL3272537 1.00 KDM4E (0.52) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL3278115 0.92 KCNMA1 (0.44) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL3278120 0.92 KCNMA1 (0.44) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL3273276 0.83 GPR35 (0.59) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL3273270 0.83 GPR35 (0.59) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL3273681 0.82 PTPN1 (0.45) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL3273683 0.82 PTPN1 (0.45) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL1462393 0.81 GRIK1 (0.60) MEN1KMT2AMAPTHTTGPR35
SCHEMBL3274304 0.80 KDM4E (0.40) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL3274301 0.80 KDM4E (0.40) KDM4EMEN1KMT2ALMNAHSP90AA1

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
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 US disclosed
EP-2121569-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-11-25 EP disclosed
WO-2008074755-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-06-26 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-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS TRPV1, TRPA1, TRPM8 KDM4E 2144/4885MEN1 3888/4885KMT2A 2108/4885

“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.