SCHEMBL5124896

SCHEMBL5124896

N[C@@H](Cc1cc(Cl)c(OCCCNC(=O)c2ccccc2)c(Cl)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC7A5 Q01650 4/20 0.45
PLAU P00749 1/20 0.44
PAX8 Q06710 1/20 0.43
F10 P00742 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7979206 0.81 RAB9A (0.55) NPC1RAB9AHPGDSMN1; SMN2PLAU
SCHEMBL7979207 0.77 GPR84 (0.51) NPC1RAB9AHPGDSMN1; SMN2PLAU
SCHEMBL5111209 0.77 TSHR (0.46) RAB9AHPGDPAX8MEN1KMT2A
SCHEMBL7965774 0.74 NPC1 (0.49) NPC1RAB9AHPGDSMN1; SMN2PLAU
SCHEMBL8075519 0.73 NPC1 (0.49) NPC1RAB9AHPGDSMN1; SMN2PLAU
SCHEMBL2237828 0.72 EPHX2 (0.57) NPC1RAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL2237833 0.72 EPHX2 (0.57) NPC1RAB9ASMN1; SMN2KMT2ATDP1
SCHEMBL17892361 0.72 SLC7A5 (0.53) SLC7A5MEN1ALOX15CYP2C19KMT2A
SCHEMBL17892364 0.72 SLC7A5 (0.53) SLC7A5MEN1ALOX15CYP2C19KMT2A
SCHEMBL25361142 0.72 SLC7A5 (0.66) NPC1RAB9ASMN1; SMN2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 EP 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-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 NPC1 602/4885RAB9A 1260/4885HPGD 1726/4885

“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.