SCHEMBL3274563

SCHEMBL3274563

O=C(C=Cc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.62
TRPA1 O75762 1/20 0.61
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
EGFR P00533 1/20 0.55
PYGL P06737 7/20 0.53
TP53 P04637 1/20 0.53
GRIK1 P39086 1/20 0.50
LTB4R Q15722 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
TRPM2 O94759 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3274559 1.00 KCNK2 (0.62) KCNK2TRPA1MAPTMEN1ALDH1A1
SCHEMBL8060450 0.90 TRPA1 (0.61) KCNK2TRPA1MAPTMEN1ALDH1A1
SCHEMBL8060447 0.90 TRPA1 (0.61) KCNK2TRPA1MAPTMEN1ALDH1A1
SCHEMBL8061590 0.89 TRPA1 (0.75) KCNK2TRPA1MAPTMEN1ALDH1A1
SCHEMBL8061586 0.89 TRPA1 (0.75) KCNK2TRPA1MAPTMEN1ALDH1A1
SCHEMBL8059612 0.86 MEN1 (0.65) KCNK2TRPA1MAPTMEN1ALDH1A1
SCHEMBL8059615 0.86 MEN1 (0.65) KCNK2TRPA1MAPTMEN1ALDH1A1
SCHEMBL6520762 0.86 TRPA1 (0.74) TRPA1MAPTMEN1ALDH1A1KMT2A
SCHEMBL6520766 0.86 TRPA1 (0.74) TRPA1MAPTMEN1ALDH1A1KMT2A
SCHEMBL5147597 0.85 TRPM2 (0.64) TRPA1MAPTMEN1ALDH1A1KMT2A

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 10 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
EP-2121569-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-11-25 EP claimed
WO-2008074755-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-06-26 WO 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
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 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 KCNK2 108/4885TRPA1 2/4885MAPT 1755/4885

“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.