SCHEMBL5340996

SCHEMBL5340996

COC(=O)Nc1ccc2occ(CCNC(=O)c3ccco3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 10/20 1.00
MTNR1A P48039 8/20 0.69
MTNR1B P49286 7/20 0.69
LMNA P02545 2/20 0.52
RECQL P46063 1/20 0.52
MAPK1 P28482 2/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5337617 0.85 NQO2 (1.00) NQO2MTNR1AMTNR1B
SCHEMBL5342747 0.84 NQO2 (1.00) NQO2MTNR1AMTNR1B
SCHEMBL5342615 0.83 NQO2 (0.77) NQO2MTNR1AMTNR1BLMNARECQL
SCHEMBL5340374 0.82 MTNR1A (1.00) NQO2MTNR1AMTNR1B
SCHEMBL5341459 0.82 NQO2 (0.74) NQO2MTNR1AMTNR1BLMNARECQL
SCHEMBL5349376 0.81 NQO2 (0.76) NQO2MTNR1AMTNR1BLMNARECQL
SCHEMBL7833216 0.80 NQO2 (0.82) NQO2MTNR1AMTNR1BLMNARECQL
SCHEMBL5338767 0.79 MTNR1A (1.00) NQO2MTNR1AMTNR1B
SCHEMBL5340850 0.79 NQO2 (1.00) NQO2MTNR1AMTNR1BLMNARECQL
SCHEMBL6213554 0.78 NQO2 (0.72) NQO2MTNR1AMTNR1BMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077928-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP claimed
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US claimed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US claimed
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 US claimed
US-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 US disclosed
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 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 (2 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-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R NQO2 492/4885MTNR1A 388/4885MTNR1B 325/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R NQO2 450/4885MTNR1A 409/4885MTNR1B 340/4885

“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.