SCHEMBL4629466

SCHEMBL4629466

N=C(NCCCCc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
HSP90AA1 P07900 1/20 0.59
SCN5A Q14524 1/20 0.56
SCN2A Q99250 1/20 0.56
MLYCD O95822 2/20 0.56
ALDH1A1 P00352 1/20 0.55
ALOX12 P18054 1/20 0.55
TRPV1 Q8NER1 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NLRP3 Q96P20 1/20 0.52
HDAC1 Q13547 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL4628683 0.91 SCN5A (0.58) NPC1RAB9AHSP90AA1SCN5ASCN2A
SCHEMBL4629427 0.91 SCN5A (0.70) NPC1RAB9AHSP90AA1SCN5ASCN2A
SCHEMBL4627587 0.90 SCN5A (0.69) NPC1RAB9AHSP90AA1SCN5ASCN2A
SCHEMBL4628718 0.87 ALDH1A1 (0.62) NPC1RAB9AHSP90AA1SCN5ASCN2A
SCHEMBL4628372 0.86 ALDH1A1 (0.61) NPC1RAB9AHSP90AA1SCN5ASCN2A
SCHEMBL4628964 0.86 SCN5A (0.65) NPC1RAB9ASCN5ASCN2AMLYCD
SCHEMBL4628488 0.85 MAPT (0.65) NPC1RAB9AHSP90AA1SCN5ASCN2A
SCHEMBL4627416 0.84 NPC1 (0.67) NPC1RAB9AHSP90AA1SCN5ASCN2A
SCHEMBL11176654 0.84 NPC1 (0.90) NPC1RAB9AHSP90AA1MLYCDPOLB
SCHEMBL8582841 0.84 NAAA (0.69) ALDH1A1POLBSMN1; SMN2HDAC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 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 NPC1 140/4885RAB9A 617/4885HSP90AA1 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.