SCHEMBL3274304

SCHEMBL3274304

O=C(C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(I)cc1-c1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
MAOB P27338 4/20 0.38
TRPA1 O75762 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.36
CA12 O43570 2/20 0.36

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
SCHEMBL3274301 1.00 KDM4E (0.40) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL3278120 0.88 KCNMA1 (0.44) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL3278115 0.88 KCNMA1 (0.44) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL3277364 0.85 TRPM2 (0.40) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL3277357 0.85 TRPM2 (0.40) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL3272537 0.80 KDM4E (0.52) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL3272544 0.80 KDM4E (0.52) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL1463030 0.73 CCNB2 (0.40) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL1464163 0.72 AURKA (0.41) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL2890988 0.71 HDAC2 (0.45) ALDH1A1HDAC3HDAC2HDAC8HDAC6

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 4 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 claimed
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.