SCHEMBL10312561

SCHEMBL10312561

CCOC(=O)C(C)Cc1nc(-c2ccc(C)cn2)no1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.46
PSMB5 P28074 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4554984 0.90 HCAR2 (0.57) HCAR2
SCHEMBL10312550 0.87 HCAR2 (0.51) HCAR2SMN1; SMN2NPC1RAB9AGAA
SCHEMBL4548429 0.82 MAOB (0.46) HCAR2PSMB5LMNASMN1; SMN2MAPT
SCHEMBL10312560 0.78 CYP2C9 (0.46) HCAR2PSMB5LMNAMAPK1SMN1; SMN2
SCHEMBL10312557 0.76 HCAR2 (0.36) HCAR2PSMB5SMN1; SMN2MAPTNPC1
SCHEMBL4548475 0.75 HCAR2 (0.64) HCAR2
SCHEMBL10312532 0.74 MITF (0.54) HCAR2LMNAMAPTALDH1A1TSHR
SCHEMBL10312533 0.74 MAPT (0.48) HCAR2LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL10312563 0.73 TP53 (0.54) HCAR2LMNASMN1; SMN2MAPTRAB9A
SCHEMBL10312554 0.72 RAB9A (0.49) HCAR2SMN1; SMN2MAPTNPC1RAB9A

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 HCAR2 2/4885PSMB5 2936/4885LMNA 909/4885

“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.