SCHEMBL3273607

SCHEMBL3273607

O=C(/C=C/c1ccc2ccccc2c1)Nc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
EGFR P00533 1/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.47
BACE1 P56817 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TRPA1 O75762 1/20 0.46

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
SCHEMBL3273612 1.00 RAB9A (0.49) RAB9ASMN1; SMN2NPC1MAOAMAOB
SCHEMBL3273292 0.82 MMP1 (0.59) MAOAMAOBEGFRMAPTHCAR2
SCHEMBL3273286 0.82 MMP1 (0.59) MAOAMAOBEGFRMAPTHCAR2
SCHEMBL3272873 0.81 EGFR (0.53) RAB9ASMN1; SMN2NPC1MAOAMAOB
SCHEMBL3272868 0.81 EGFR (0.53) RAB9ASMN1; SMN2NPC1MAOAMAOB
SCHEMBL3274042 0.81 TRPA1 (0.64) RAB9ASMN1; SMN2NPC1EGFRMAPT
SCHEMBL3274049 0.81 TRPA1 (0.64) RAB9ASMN1; SMN2NPC1EGFRMAPT
SCHEMBL3273766 0.80 EGFR (0.54) RAB9ASMN1; SMN2NPC1MAOAMAOB
SCHEMBL3273770 0.80 EGFR (0.54) RAB9ASMN1; SMN2NPC1MAOAMAOB
SCHEMBL3280717 0.79 EGFR (0.50) RAB9ASMN1; SMN2NPC1MAOAMAOB

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 7 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
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 US disclosed
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
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 RAB9A 1896/4885SMN1; SMN2 1530/4885NPC1 474/4885

“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.