SCHEMBL10312552

SCHEMBL10312552

COC(=O)c1cnc(-n2cc(C)cn2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35

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
SCHEMBL23794788 0.87 HCAR2 (0.50) KDM4ETGM2TGM1HCAR2NPSR1
SCHEMBL24187604 0.86 CDC7 (0.48) HSD17B10LMNAKDM4EALDH1A1NPSR1
SCHEMBL4548442 0.86 HCAR2 (0.42) CRBNHRH3LMNAKDM4EALDH1A1
SCHEMBL4548443 0.84 CRBN (0.41) CRBNHRH3LMNAALDH1A1HCAR2
SCHEMBL4548441 0.77 CRBN (0.36) CRBNHRH3ALDH1A1NPSR1TSHR
SCHEMBL10312549 0.76 HDAC1 (0.40) HSD17B10KDM4EALDH1A1TSHRMAPT
SCHEMBL10312548 0.75 HCAR2 (0.46) LMNAHCAR2NPSR1ALOX15TSHR
SCHEMBL24187800 0.73 RAB9A (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1107386 0.71 HCAR2 (0.68) CRBNHRH3HSD17B10LMNAKDM4E
SCHEMBL10312547 0.71 KCNJ1 (0.51) KDM4EALDH1A1TGM2TGM1NPSR1

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 2 patents. 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
WO-2007002557-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-01-04 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-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 CRBN 4328/4885HRH3 342/4885HSD17B10 554/4885

“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.