SCHEMBL10312551

SCHEMBL10312551

Cc1cnn(-c2ncc(CO)s2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
SRC P12931 1/20 0.35
ZAP70 P43403 1/20 0.35
SYK P43405 1/20 0.35
OGA O60502 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS1 P29475 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31

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
SCHEMBL10187132 0.82 HCAR2 (0.49) HCAR2OGAHRH3MAPK1ALDH1A1
SCHEMBL10312548 0.77 HCAR2 (0.46) TDO2HCAR2MAPTNPSR1
SCHEMBL4548439 0.75 HRH3 (0.32) HCAR2OGAHRH3
SCHEMBL23794788 0.73 HCAR2 (0.50) TDO2HCAR2KDM4EMAPTMAPK1
SCHEMBL10312547 0.72 KCNJ1 (0.51) TDO2KDM4EMAPTMAPK1NPSR1
SCHEMBL17824670 0.71 OGA (0.39) SRCZAP70SYKOGAHRH3
SCHEMBL24187604 0.71 CDC7 (0.48) OGAKDM4EMAPTMAPK1NPSR1
SCHEMBL10312552 0.70 CRBN (0.41) HCAR2HRH3KDM4EMAPTMAPK1
SCHEMBL12469946 0.67 OGA (0.38) OGAHRH3MAPTMAPK1ALDH1A1
SCHEMBL1107383 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 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 (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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 TDO2 3415/4885HCAR2 2/4885SRC 3961/4885

“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.