SCHEMBL20023047

SCHEMBL20023047

O=C(CCCC(=O)c1nc2ccccc2s1)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
HTR1A P08908 8/20 0.50
DRD2 P14416 8/20 0.50
HTR7 P34969 7/20 0.50
SLC6A4 P31645 6/20 0.50
HTR2A P28223 7/20 0.49
HTR2C P28335 2/20 0.49
HRH1 P35367 2/20 0.47
SLC6A2 P23975 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MCL1 Q07820 1/20 0.45
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL20023020 0.82 L3MBTL1 (0.70) RAB9ASMN1; SMN2HPGDL3MBTL1MAPK1
SCHEMBL20029262 0.81 CSNK1D (0.64) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL1950317 0.79 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7639974 0.77 MAPT (0.72) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL20023040 0.76 TDP1 (0.56) NPC1RAB9AL3MBTL1MAPK1SLC6A2
SCHEMBL27451031 0.75 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL31549929 0.75 HTT (0.59) SMN1; SMN2L3MBTL1MAPK1SLC6A2MAPT
SCHEMBL19043117 0.74 DRD2 (0.61) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL5516342 0.74 DRD2 (0.55) NPC1RAB9ASMN1; SMN2HPGDHTR1A
SCHEMBL5973802 0.74 RAB9A (1.00) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1

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-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA NPC1 254/4885RAB9A 2280/4885SMN1; SMN2 964/4885

“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.