SCHEMBL3273683

SCHEMBL3273683

O=C(C=Cc1ccc2ccccc2c1)Nc1ccc(Br)cc1-c1nnn[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
TRPM2 O94759 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.41
CDK8 P49336 1/20 0.41
GSK3B P49841 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
LIMK1 P53667 1/20 0.41
ROCK1 Q13464 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 3/20 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
SCHEMBL3273681 1.00 PTPN1 (0.45) PTPN1TRPM2HCAR2TRPA1TRPM8
SCHEMBL3279060 0.89 HCAR2 (0.47) TRPM2HCAR2TRPA1TRPM8MAPT
SCHEMBL3279047 0.89 HCAR2 (0.47) TRPM2HCAR2TRPA1TRPM8MAPT
SCHEMBL3273782 0.88 EGFR (0.47) PTPN1HCAR2TRPA1MAPTLMNA
SCHEMBL3273777 0.88 EGFR (0.47) PTPN1HCAR2TRPA1MAPTLMNA
SCHEMBL3272677 0.82 EGFR (0.44) PTPN1HCAR2TRPA1MAPTLMNA
SCHEMBL3272673 0.82 EGFR (0.44) PTPN1HCAR2TRPA1MAPTLMNA
SCHEMBL3272544 0.82 KDM4E (0.52) TRPM2MAPTLMNAKDM4EMEN1
SCHEMBL3272537 0.82 KDM4E (0.52) TRPM2MAPTLMNAKDM4EMEN1
SCHEMBL3278115 0.80 KCNMA1 (0.44) TRPM2TRPA1TRPM8MAPTLMNA

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-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

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 PTPN1 4654/4885TRPM2 5/4885HCAR2 180/4885

“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.