SCHEMBL4628702

SCHEMBL4628702

N=C(NCCCc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.58
SCN2A Q99250 1/20 0.58
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.48
PRMT1 Q99873 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MLYCD O95822 1/20 0.46

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
SCHEMBL4628724 0.85 EPHX2 (0.60) SCN5ASCN2ATMEM97SIGMAR1TRPV1
SCHEMBL4628450 0.83 LMNA (0.55) SCN5ASCN2ATMEM97SIGMAR1SMN1; SMN2
SCHEMBL4628683 0.82 SCN5A (0.58) SCN5ASCN2ATMEM97SIGMAR1NPC1
SCHEMBL4628964 0.81 SCN5A (0.65) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL4629466 0.80 NPC1 (0.65) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL4627412 0.79 SCN5A (0.61) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL4627518 0.78 POLB (0.60) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL17372514 0.78 TMEM97 (0.62) SCN5ASCN2ATMEM97SIGMAR1NPC1
SCHEMBL4629427 0.78 SCN5A (0.70) SCN5ASCN2ANPC1RAB9ASMN1; SMN2
SCHEMBL4627587 0.77 SCN5A (0.69) SCN5ASCN2ANPC1RAB9ASMN1; SMN2

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 9 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-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP claimed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP claimed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO 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 1613/4885TMEM97 2010/4885

“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.