SCHEMBL4472878

SCHEMBL4472878

CC(C)(C)c1ccc(C(=O)NCCCCNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.59
▸ HDAC6 Q9UBN7 8/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.56
▸ EPHX2 P34913 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50

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
SCHEMBL4459399 0.89 KCNH2 (0.59) KCNH2HDAC6SLC6A3EPHX2L3MBTL1
SCHEMBL4464147 0.89 SLC6A3 (0.58) HDAC6SMN1; SMN2SLC6A3EPHX2HDAC3
SCHEMBL4461322 0.87 KCNH2 (0.58) KCNH2HDAC6SLC6A3EPHX2L3MBTL1
SCHEMBL4465526 0.87 KCNH2 (0.58) KCNH2HDAC6SLC6A3EPHX2L3MBTL1
SCHEMBL4461324 0.87 KCNH2 (0.58) KCNH2HDAC6SLC6A3EPHX2L3MBTL1
SCHEMBL4475315 0.84 SLC6A3 (0.60) KCNH2HDAC6SLC6A3EPHX2
SCHEMBL4475302 0.82 EPHX2 (0.53) KCNH2HDAC6SLC6A3EPHX2
SCHEMBL5024621 0.81 KCNH2 (0.73) KCNH2MAPTSLC6A3
SCHEMBL13932375 0.80 KCNH2 (0.64) KCNH2HDAC6SLC6A3
SCHEMBL4462497 0.78 EPHX2 (0.49) KCNH2HDAC6SLC6A3EPHX2

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
US-20060235050-A1 Diamine calcium channel blockers NUEROMED TECHNOLOGIES, INC. (CA) 2006-10-19 — — US 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-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 44/4885HDAC6 2931/4885MEN1 2601/4885

“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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