SCHEMBL14340901

SCHEMBL14340901

COC(=O)/C=C/c1ncc(-c2ccc([N+](=O)[O-])cn2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NLRP1 Q9C000 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14340904 0.86 CYP2C19 (0.39) CYP2C19CYP1A2GAAMAPTALDH1A1
SCHEMBL14340900 0.78 SLC2A1 (0.40) CYP2C19CYP1A2GAAMAPTALDH1A1
SCHEMBL14340906 0.77 TRPM2 (0.49) RECQLMAPTALDH1A1KMT2AMEN1
SCHEMBL5903966 0.73 CYP2C19 (0.49) CYP2C19CYP1A2GAARECQLMAPT
SCHEMBL24150773 0.69 KMT2A (0.44) CYP2C19CYP1A2MAPTALDH1A1KMT2A
SCHEMBL522693 0.69 CA12 (0.62) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL1231449 0.69 CA12 (0.62) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL5903956 0.67 KDM4E (0.51) CYP2C19CYP1A2GAAMAPTALDH1A1
SCHEMBL6841707 0.66 MAPT (0.49) CYP2C19CYP1A2GAAMAPTALDH1A1
SCHEMBL6841705 0.66 MAPT (0.49) CYP2C19CYP1A2GAAMAPTALDH1A1

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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 CYP2C19 484/4885CYP1A2 393/4885GAA 1257/4885

“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.