SCHEMBL5676995

SCHEMBL5676995

CON(C)C(=O)/C=C/c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 6/20 0.52
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ PTGS1 P23219 3/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ RELA Q04206 1/20 0.50
▸ GLO1 Q04760 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ APP P05067 1/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 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
SCHEMBL5677002 1.00 NFE2L2 (0.52) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL28375620 0.87 NFE2L2 (0.55) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL1225052 0.81 CYP1A2 (0.63) MAOAMAOBPTGS1PTGS2RELA
SCHEMBL6320363 0.81 MAOB (0.62) MAOAMAOBPTGS1PTGS2RELA
SCHEMBL1225056 0.81 CYP1A2 (0.63) MAOAMAOBPTGS1PTGS2RELA
SCHEMBL6318820 0.81 MAOB (0.62) MAOAMAOBPTGS1PTGS2RELA
SCHEMBL17157868 0.81 HSD17B3 (0.63) MAOAMAOBPTGS1PTGS2RELA
SCHEMBL17157870 0.81 HSD17B3 (0.63) MAOAMAOBPTGS1PTGS2RELA
SCHEMBL1431912 0.81 KMT2A (0.58) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL7660046 0.81 KMT2A (0.58) NFE2L2MAOAMAOBPTGS1PTGS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 — — US disclosed
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 — — EP disclosed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 — — EP disclosed
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 — — US disclosed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 — — 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-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders KCNQ2, KCNQ5, KCNJ2 NFE2L2 1360/4885MAOA 517/4885MAOB 611/4885

“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.

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