SCHEMBL4475502

SCHEMBL4475502

COc1cc(C(=O)NC/C=C/CNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL4456998 1.00 KCNH2 (0.60) KCNH2SMN1; SMN2POLBMAPK1KMT2A
SCHEMBL4459637 1.00 KCNH2 (0.60) KCNH2SMN1; SMN2POLBMAPK1KMT2A
SCHEMBL13932708 0.89 KCNH2 (0.63) KCNH2SMN1; SMN2POLBMAPK1KMT2A
SCHEMBL4474701 0.88 KCNH2 (0.62) KCNH2SMN1; SMN2POLBMAPK1KMT2A
SCHEMBL4459459 0.88 KCNH2 (0.62) KCNH2
SCHEMBL4459633 0.88 KCNH2 (0.62) KCNH2
SCHEMBL4459462 0.88 KCNH2 (0.62) KCNH2
SCHEMBL4462494 0.84 EPHX2 (0.49) KCNH2POLB
SCHEMBL4464693 0.84 EPHX2 (0.49) KCNH2POLB
SCHEMBL4462497 0.84 EPHX2 (0.49) KCNH2POLB

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-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 — — US claimed
EP-1846365-A1 DIAMINE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-10-24 — — EP claimed
US-20060235050-A1 Diamine calcium channel blockers NUEROMED TECHNOLOGIES, INC. (CA) 2006-10-19 — — US claimed
WO-2006084369-A1 DIAMINE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-08-17 — — WO claimed
US-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 — — US disclosed
US-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 — — US disclosed
US-20060235050-A1 Diamine calcium channel blockers NUEROMED TECHNOLOGIES, INC. (CA) 2006-10-19 — — 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-20060235050-A1 Diamine calcium channel blockers CACNA1G, CACNA1H, CACNA1I KCNH2 44/4885SMN1; SMN2 583/4885POLB 3273/4885

“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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