SCHEMBL5430682

SCHEMBL5430682

COC(=O)C(CNC=O)c1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MTNR1A P48039 8/20 0.45
MTNR1B P49286 8/20 0.45
TDP1 Q9NUW8 1/20 0.44
GLS O94925 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL5182347 0.89 MTNR1A (0.48) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL17798625 0.84 KMT2A (0.41) KDM4E
SCHEMBL3663083 0.83 KMT2A (0.56) GLS
SCHEMBL27586522 0.82 MTNR1A (0.52) AOC3L3MBTL1MTNR1AMTNR1BTDP1
SCHEMBL3443103 0.82 AOC3 (0.67) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL28577126 0.81 KDM4E (0.60) AOC3L3MBTL1MTNR1AMTNR1BTDP1
SCHEMBL30932899 0.80 L3MBTL1 (0.55) AOC3L3MBTL1MTNR1AMTNR1BTDP1
Hydrochloric Acid SCHEMBL5422383 0.79 ROCK2 (0.54) AOC3L3MBTL1MTNR1AMTNR1BGLS
SCHEMBL31724365 0.77 L3MBTL1 (0.47) AOC3L3MBTL1MTNR1AMTNR1BTDP1
SCHEMBL23216480 0.77 MTNR1A (0.52) AOC3L3MBTL1MTNR1AMTNR1BTDP1

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
US-20070191328-A1 Isoquinoline compounds LES LABORATOIRES SERVIER (FR) 2007-08-16 US disclosed
US-7214689-B2 Isoquinoline compounds LES LABORATOIRES SERVIER (FR) 2007-05-08 US disclosed
US-20040204449-A1 New isoquinoline compounds LES LABORATOIRES SERVIER (FR) 2004-10-14 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-20040204449-A1 New isoquinoline compounds MTNR1A, MTNR1B, HCRTR1 AOC3 1219/4885L3MBTL1 3444/4885CHRM2 471/4885
US-20070191328-A1 Isoquinoline compounds MTNR1A, MTNR1B, NR1D1 AOC3 1590/4885L3MBTL1 4067/4885CHRM2 434/4885

“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.