SCHEMBL4474701

SCHEMBL4474701

COc1cc(C(=O)NCC#CCNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 10/20 0.62
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL13932708 0.91 KCNH2 (0.63) KCNH2POLBMAPK1SMN1; SMN2MEN1
SCHEMBL4475502 0.88 KCNH2 (0.60) KCNH2POLBMAPK1SMN1; SMN2KMT2A
SCHEMBL4456998 0.88 KCNH2 (0.60) KCNH2POLBMAPK1SMN1; SMN2KMT2A
SCHEMBL4459637 0.88 KCNH2 (0.60) KCNH2POLBMAPK1SMN1; SMN2KMT2A
SCHEMBL4472864 0.87 KCNH2 (0.63) KCNH2
SCHEMBL4475302 0.85 EPHX2 (0.53) KCNH2
SCHEMBL4457002 0.85 SLC6A9 (0.55) KCNH2POLBMAPK1SMN1; SMN2MEN1
SCHEMBL5501475 0.81 SLC6A9 (0.52) KCNH2MEN1KMT2A
SCHEMBL4462507 0.81 SLC6A9 (0.52) KCNH2
SCHEMBL4465490 0.81 EPHX2 (0.49) KCNH2POLBSMN1; SMN2

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 6 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-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 44/4885POLB 3273/4885MAPK1 2670/4885

“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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