SCHEMBL4475958

SCHEMBL4475958

O=C(CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)NC/C=C/CNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ SLC6A3 Q01959 3/20 0.54
▸ SLC6A9 P48067 2/20 0.50
▸ SLC6A5 Q9Y345 2/20 0.50
▸ EPHX2 P34913 4/20 0.45
▸ TP53 P04637 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 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
SCHEMBL4462458 1.00 POLB (0.55) POLBSLC6A3SLC6A9SLC6A5EPHX2
SCHEMBL4462455 1.00 POLB (0.55) POLBSLC6A3SLC6A9SLC6A5EPHX2
SCHEMBL4464693 0.94 EPHX2 (0.49) POLBSLC6A3EPHX2KCNH2HDAC6
SCHEMBL4462497 0.94 EPHX2 (0.49) POLBSLC6A3EPHX2KCNH2HDAC6
SCHEMBL4462494 0.94 EPHX2 (0.49) POLBSLC6A3EPHX2KCNH2HDAC6
SCHEMBL4454540 0.91 EPHX2 (0.47) POLBSLC6A3EPHX2MEN1KMT2A
SCHEMBL4454541 0.91 EPHX2 (0.47) POLBSLC6A3EPHX2MEN1KMT2A
SCHEMBL4475904 0.91 EPHX2 (0.47) POLBSLC6A3EPHX2MEN1KMT2A
SCHEMBL4465355 0.89 SLC6A9 (0.50) POLBSLC6A3SLC6A9EPHX2KCNH2
SCHEMBL4465361 0.89 SLC6A9 (0.50) POLBSLC6A3SLC6A9EPHX2KCNH2

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 8 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-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 POLB 3273/4885SLC6A3 461/4885SLC6A9 988/4885

“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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