SCHEMBL14340904

SCHEMBL14340904

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
SLC2A1 P11166 1/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PTGES O14684 1/20 0.37
CYP1A2 P05177 1/20 0.37
RHOA P61586 2/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 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
SCHEMBL14340901 0.86 CYP2C19 (0.46) CYP2C19SLC2A1KMT2AMEN1MAPT
SCHEMBL14340900 0.81 SLC2A1 (0.40) CYP2C19SLC2A1KMT2AMEN1MAPT
SCHEMBL14340906 0.80 TRPM2 (0.49) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL20337186 0.75 SLC2A1 (0.59) CYP2C19SLC2A1KMT2AMEN1MAPT
SCHEMBL5903956 0.73 KDM4E (0.51) CYP2C19SLC2A1KMT2AMEN1MAPT
SCHEMBL3156019 0.69 MAPT (0.52) CYP2C19SLC2A1KMT2AMEN1MAPT
SCHEMBL14018441 0.68 LMNA (0.46) SLC2A1KMT2AMEN1MAPTALDH1A1
SCHEMBL6166283 0.68 SLC2A1 (0.43) CYP2C19SLC2A1KMT2AMEN1MAPT
SCHEMBL6166275 0.68 SLC2A1 (0.43) CYP2C19SLC2A1KMT2AMEN1MAPT
SCHEMBL8974165 0.68 NPC1 (0.53) CYP2C19SLC2A1KMT2AMEN1MAPT

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 484/4885SLC2A1 229/4885KMT2A 3675/4885

“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.