SCHEMBL3274796

SCHEMBL3274796

O=C(C=Cc1ccc2ccccc2c1)Nc1cc(Cl)ccc1OCc1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
VCP P55072 1/20 0.40
EGFR P00533 1/20 0.40
TRPA1 O75762 2/20 0.39
MAPT P10636 2/20 0.39
UBE2N P61088 1/20 0.39
LTB4R Q15722 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL3274789 1.00 APP (0.41) APPVCPEGFRTRPA1MAPT
SCHEMBL3276037 0.81 EGFR (0.45) APPEGFRTRPA1MAPTLTB4R
SCHEMBL3276028 0.81 EGFR (0.45) APPEGFRTRPA1MAPTLTB4R
SCHEMBL3272677 0.80 EGFR (0.44) EGFRTRPA1MAPTLTB4RMEN1
SCHEMBL3272673 0.80 EGFR (0.44) EGFRTRPA1MAPTLTB4RMEN1
SCHEMBL3273782 0.78 EGFR (0.47) EGFRTRPA1MAPTMEN1KMT2A
SCHEMBL3273777 0.78 EGFR (0.47) EGFRTRPA1MAPTMEN1KMT2A
SCHEMBL3273286 0.73 MMP1 (0.59) APPEGFRTRPA1MAPTKDM4E
SCHEMBL3273292 0.73 MMP1 (0.59) APPEGFRTRPA1MAPTKDM4E
SCHEMBL8161207 0.73 PTGER1 (0.42) EGFRMAPTMEN1KMT2ASMN1; SMN2

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 APP 1960/4885VCP 693/4885EGFR 2980/4885

“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.