SCHEMBL20023020

SCHEMBL20023020

O=C(CCCc1nc2ccccc2s1)C(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.70
MAPK1 P28482 1/20 0.70
HTT P42858 3/20 0.68
ALOX15 P16050 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HPGD P15428 5/20 0.61
POLB P06746 1/20 0.61
ATM Q13315 1/20 0.61
LMNA P02545 2/20 0.57
RAB9A P51151 1/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 6/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL7639974 0.85 MAPT (0.72) L3MBTL1MAPK1HTTALOX15SMN1; SMN2
SCHEMBL20023047 0.82 NPC1 (0.57) L3MBTL1MAPK1HTTALOX15SMN1; SMN2
SCHEMBL243430 0.82 SMN1; SMN2 (1.00) L3MBTL1MAPK1HTTALOX15SMN1; SMN2
SCHEMBL20029262 0.80 CSNK1D (0.64) MAPK1HTTSMN1; SMN2POLBRAB9A
SCHEMBL6645560 0.78 SMN1; SMN2 (0.91) L3MBTL1MAPK1HTTALOX15SMN1; SMN2
SCHEMBL7637978 0.77 HDAC1 (0.61) L3MBTL1MAPK1HTTSMN1; SMN2LMNA
SCHEMBL25062695 0.77 L3MBTL1 (0.65) L3MBTL1MAPK1HTTALOX15SMN1; SMN2
SCHEMBL7835431 0.77 SMN1; SMN2 (0.89) L3MBTL1MAPK1HTTALOX15SMN1; SMN2
SCHEMBL7835167 0.77 SMN1; SMN2 (0.89) L3MBTL1MAPK1HTTALOX15SMN1; SMN2
SCHEMBL10967736 0.76 HTT (0.73) L3MBTL1MAPK1HTTALOX15SMN1; 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 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 L3MBTL1 3762/4885MAPK1 962/4885HTT 1520/4885

“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.