SCHEMBL4628683

SCHEMBL4628683

N=C(NCCCCc1ccccc1)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.58
SCN2A Q99250 2/20 0.58
HSP90AA1 P07900 1/20 0.56
PLAAT3 P53816 1/20 0.56
PLAAT5 Q96KN8 1/20 0.56
PLAAT2 Q9NWW9 1/20 0.56
PLAAT4 Q9UL19 1/20 0.56
TMEM97 Q5BJF2 3/20 0.55
SIGMAR1 Q99720 3/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
POLB P06746 1/20 0.53
MLYCD O95822 1/20 0.53
CNR1 P21554 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HDAC8 Q9BY41 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CNR2 P34972 1/20 0.50
HDAC1 Q13547 1/20 0.49

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
SCHEMBL4629466 0.91 NPC1 (0.65) SCN5ASCN2AHSP90AA1NPC1RAB9A
SCHEMBL4629427 0.87 SCN5A (0.70) SCN5ASCN2AHSP90AA1NPC1RAB9A
SCHEMBL4627587 0.86 SCN5A (0.69) SCN5ASCN2AHSP90AA1NPC1RAB9A
SCHEMBL4628718 0.84 ALDH1A1 (0.62) SCN5ASCN2AHSP90AA1SIGMAR1NPC1
SCHEMBL4628964 0.83 SCN5A (0.65) SCN5ASCN2ANPC1RAB9APOLB
SCHEMBL4627412 0.83 SCN5A (0.61) SCN5ASCN2APLAAT3PLAAT5PLAAT2
SCHEMBL4628372 0.83 ALDH1A1 (0.61) SCN5ASCN2AHSP90AA1SIGMAR1NPC1
SCHEMBL4628702 0.82 SCN5A (0.58) SCN5ASCN2ATMEM97SIGMAR1NPC1
SCHEMBL4627552 0.82 TP53 (0.56) SCN2ANPC1RAB9APOLBSMN1; SMN2
SCHEMBL4628488 0.82 MAPT (0.65) SCN5ASCN2AHSP90AA1NPC1RAB9A

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
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SCN5A 1196/4885SCN2A 1613/4885HSP90AA1 3319/4885

“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.