SCHEMBL1019487

SCHEMBL1019487

C=CCOC(=O)C1NCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ERN1 O75460 1/20 0.31
CYP19A1 P11511 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1019489 1.00 TSHR (0.35) TSHRPOLBMAPK1TP53GAA
SCHEMBL7331643 0.83 CA1 (0.35) TSHRPOLBMAPK1TP53CYP3A4
SCHEMBL22127605 0.79 TSHR (0.37) TSHRPOLBMAPK1TP53GAA
SCHEMBL6353034 0.78 MAPT (0.38) GAAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6154775 0.75 TSHR (0.34) TSHRPOLBMAPK1TP53GAA
SCHEMBL4033195 0.74 CYP3A4 (0.39) TSHRPOLBMAPK1TP53GAA
SCHEMBL13278810 0.70 ALDH1A1 (0.36) TSHRPOLBMAPK1TP53GAA
SCHEMBL11198413 0.70
SCHEMBL22468826 0.69 TSHR (0.36) TSHRPOLBMAPK1TP53GAA
SCHEMBL29529763 0.69 TSHR (0.36) TSHRPOLBMAPK1TP53GAA

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
US-8372863-B2 Tetrahydro-1H-pyrrolo fused pyridones MERCK SHARP & DOHME CORP. (US) 2013-02-12 US disclosed
US-20110009406-A1 TETRAHYDRO-1H-PYRROLO FUSED PYRIDONES MERCK SHARP & DOHME LLC 2011-01-13 US disclosed
EP-2257171-A1 TETRAHYDRO-1H-PYRROLO FUSED PYRIDONES Merck Sharp & Dohme Corp. (US) 2010-12-08 EP disclosed
WO-2009108499-A1 TETRAHYDRO-1H-PYRROLO FUSED PYRIDONES MERCK & CO., INC. (US) 2009-09-03 WO 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-20110009406-A1 TETRAHYDRO-1H-PYRROLO FUSED PYRIDONES HIF1AN, EGLN2, EGLN3 TSHR 2318/4885POLB 1334/4885MAPK1 2862/4885

“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.