SCHEMBL20022975

SCHEMBL20022975

O=C(NCc1ccc(Br)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 4/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLAU P00749 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 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
SCHEMBL20022955 0.91 HTT (0.55) L3MBTL1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL3979997 0.85 NR1H4 (0.52) HPGDKMT2AMEN1PLAUHTT
SCHEMBL20022962 0.85 LMNA (0.58) L3MBTL1HPGDMAPTPOLBKMT2A
SCHEMBL20022981 0.85 PLAAT3 (0.59) L3MBTL1HPGDMAPTPOLBGAA
SCHEMBL20022977 0.85 SMN1; SMN2 (0.62) L3MBTL1HPGDMAPTPOLBKMT2A
SCHEMBL192484 0.85 PLAU (0.64) L3MBTL1HPGDMAPTPOLBGAA
SCHEMBL28047575 0.85 PLAU (0.64) L3MBTL1HPGDMAPTPOLBGAA
SCHEMBL20022976 0.83 NPC1 (0.62) MAPTKMT2AMEN1TP53TSHR
SCHEMBL15682691 0.80 MEN1 (0.53) L3MBTL1MAPTPOLBGAAKMT2A
SCHEMBL20022979 0.77 SRC (0.53) MAPTPOLBGAATP53HTT

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 2 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

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 3762/4885HPGD 1055/4885MAPT 2401/4885

“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.