SCHEMBL937628

SCHEMBL937628

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(CCCCN)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 5/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
ESRRB O95718 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
DGAT1 O75907 1/20 0.44
MLYCD O95822 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NR1H2 P55055 1/20 0.43
EGFR P00533 1/20 0.43
HDAC1 Q13547 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL16808348 0.88 CA1 (0.55) CA1CA2SIGMAR1
SCHEMBL26554581 0.88 THRA (0.50) ESRRGNPC1RAB9AMLYCD
SCHEMBL966019 0.86 CA1 (0.48) CA1CA2SIGMAR1
SCHEMBL23254739 0.85 MCHR1 (0.49) ESRRGCA1CA2ESRRBDGAT1
SCHEMBL2329880 0.85 TDP1 (0.54) ESRRGCA1CA2ESRRBNPC1
SCHEMBL25943313 0.85 CA1 (0.52) CA1CA2SIGMAR1
SCHEMBL30048842 0.84 CA2 (0.59) CA1CA2SIGMAR1
SCHEMBL26554575 0.84 L3MBTL1 (0.52) ESRRGCA1CA2NPC1RAB9A
SCHEMBL18226968 0.83 CA1 (0.48) ESRRGCA1CA2NPC1RAB9A
SCHEMBL25951448 0.82 CA1 (0.55) CA1CA2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875619-B2 N-[4-(4-{2-[bis-((2S,3R)-2,3,4-trihydroxybutyl)amino]ethylamino}phenyl)butyl]-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine trihydrochloride; treating chronic bronchitis, cystic fibrosis, ventilator-induced pneumonia, asthma, chronic obstructive pulmonary disease, pneumonia and emphysema PARION SCIENCES, INC. (US) 2011-01-25 US disclosed
US-7820678-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-26 US disclosed
EP-1599096-B1 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-12-24 EP disclosed
US-20080076782-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-03-27 US disclosed
US-7345044-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2008-03-18 US disclosed
US-20060142581-A1 Hetero substitued sodium channel blockers PARION SCIENCES, INC. (US) 2006-06-29 US disclosed
US-7030117-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2006-04-18 US disclosed
US-7026325-B2 Sodium channel blockers PARION-SCIENCES, INC. (US) 2006-04-11 US disclosed
US-20060063780-A1 Sodium channel blockers JOHNSON MICHAEL R 2006-03-23 US disclosed
EP-1599096-A4 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-03-22 EP disclosed
US-6995160-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2006-02-07 US disclosed
EP-1599096-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2005-11-30 EP disclosed
US-6903105-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-06-07 US disclosed
US-20050113389-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
US-20050113388-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
US-20050113390-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
WO-2004073629-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2004-09-02 WO disclosed
US-20040162296-A1 Sodium channel blockers PARION SCIENCES, INC. 2004-08-19 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 (7 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-20060142581-A1 Hetero substitued sodium channel blockers SCN2B, CACNA1B, CACNA1G ESRRG 2696/4885CA1 2788/4885CA2 329/4885
US-20050113390-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ESRRG 4429/4885CA1 873/4885CA2 162/4885
US-20050113389-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ESRRG 4429/4885CA1 873/4885CA2 162/4885
US-20080076782-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ESRRG 4429/4885CA1 873/4885CA2 162/4885
US-20050113388-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ESRRG 4429/4885CA1 873/4885CA2 162/4885
US-20040162296-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ESRRG 4429/4885CA1 873/4885CA2 162/4885
US-20060063780-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ESRRG 4429/4885CA1 873/4885CA2 162/4885

“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.