SCHEMBL1478328

SCHEMBL1478328

CCNC(=O)OCCC(CNc1noc2cccc(OC)c12)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 7/20 0.48
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SGMS1 Q86VZ5 2/20 0.35
▸ SGMS2 Q8NHU3 2/20 0.35
▸ KAT6A Q92794 3/20 0.34
▸ KAT7 O95251 2/20 0.34
▸ KCNA3 P22001 1/20 0.33
▸ F9 P00740 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ SLC26A6 Q9BXS9 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL1478453 0.91 KCNA5 (0.41) KCNA5SMN1; SMN2SGMS1SGMS2KAT6A
SCHEMBL2633191 0.82 KCNA5 (0.56) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL1478103 0.76 KCNA5 (0.61) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL1478152 0.76 KCNA5 (0.61) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL1478104 0.76 KCNA5 (0.61) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL1478346 0.73 KCNA5 (0.47) KCNA5SMN1; SMN2SGMS1SGMS2KAT6A
SCHEMBL2440112 0.73 KCNA5 (0.51) KCNA5SMN1; SMN2SGMS1SGMS2KAT6A
SCHEMBL2628031 0.71 KCNA5 (0.54) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL2628029 0.70 KCNA5 (0.51) KCNA5SGMS1SGMS2KAT6AKAT7
SCHEMBL2628035 0.69 KCNA5 (0.42) KCNA5SMN1; SMN2LMNASGMS1SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 — — US disclosed
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 — — US disclosed
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 — — US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 — — US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 — — US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 — — US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 — — US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 — — US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 — — US disclosed
EP-1922311-A2 ACYCLIC IKUR INHIBITORS Brystol-Myers Squibb Company (US) 2008-05-21 — — EP disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 — — US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 — — US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 — — US disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 — — WO disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 — — 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 (2 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-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 KCNA5 67/4885NPC1 398/4885RAB9A 1768/4885
US-20120094983-A1 ACYCLIC IKUR INHIBITORS KCNH2, KCNJ2, KCNH3 KCNA5 67/4885NPC1 398/4885RAB9A 1768/4885

“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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