SCHEMBL4629192

SCHEMBL4629192

N=C(NCCCOc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.66
RAB9A P51151 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
HPGD P15428 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
F10 P00742 2/20 0.55
RECQL P46063 2/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4629274 0.91 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL4629479 0.90 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL4629430 0.87 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4627556 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4629252 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL4627416 0.81 NPC1 (0.67) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL1578277 0.80 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4628732 0.80 KMT2A (0.66) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL8582841 0.79 NAAA (0.69) SMN1; SMN2L3MBTL1POLBTDP1ALDH1A1
SCHEMBL19820079 0.78 MAPK1 (0.62) SMN1; SMN2L3MBTL1POLBTDP1MEN1

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 617/4885SMN1; SMN2 53/4885

“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.