SCHEMBL5117220

SCHEMBL5117220

ClCc1cccc2nc(-c3ccccc3)oc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.57
MTNR1B P49286 6/20 0.57
DHODH Q02127 1/20 0.54
ELANE P08246 1/20 0.50
ESR2 Q92731 5/20 0.46
ESR1 P03372 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL5123782 0.85 DHODH (0.59) MTNR1AMTNR1BDHODHELANEESR2
SCHEMBL6786317 0.79 MTNR1A (0.62) MTNR1AMTNR1BDHODHELANEESR2
SCHEMBL6791342 0.78 MTNR1A (0.55) MTNR1AMTNR1BDHODHELANEESR2
SCHEMBL24295099 0.76 DHODH (0.59) MTNR1AMTNR1BDHODHELANEESR2
SCHEMBL29819490 0.76 DHODH (0.59) MTNR1AMTNR1BDHODHELANEESR2
SCHEMBL13865468 0.75 DHODH (0.58) MTNR1AMTNR1BDHODHELANEESR2
SCHEMBL1040237 0.75 DHODH (0.62) MTNR1AMTNR1BDHODHELANEESR2
SCHEMBL2587399 0.75 DHODH (0.58) MTNR1AMTNR1BDHODHELANEESR2
SCHEMBL8117279 0.75 DHODH (0.58) MTNR1AMTNR1BDHODHELANEESR2
SCHEMBL29390984 0.75 DHODH (0.58) MTNR1AMTNR1BDHODHELANEESR2

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 MTNR1A 2720/4885MTNR1B 3413/4885DHODH 1652/4885

“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.