SCHEMBL14340906

SCHEMBL14340906

O=C(/C=C/c1ncc(-c2ccc([N+](=O)[O-])cn2)s1)Nc1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 2/20 0.49
KMT2A Q03164 7/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
TRPA1 O75762 7/20 0.44
MAPT P10636 5/20 0.44
TRPM8 Q7Z2W7 4/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
LTB4R Q15722 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
MEN1 O00255 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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 0.80 CYP2C19 (0.39) KMT2AMAPTHTTALDH1A1TDP1
SCHEMBL14340901 0.77 CYP2C19 (0.46) KMT2AMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL6525729 0.75 TRPM2 (0.76) TRPM2KMT2ACYP2C9CYP3A4TRPA1
SCHEMBL6525728 0.75 TRPM2 (0.76) TRPM2KMT2ACYP2C9CYP3A4TRPA1
SCHEMBL14340900 0.71 SLC2A1 (0.40) KMT2ACYP2C9MAPTALDH1A1TDP1
SCHEMBL14340931 0.70 HCAR2 (0.50) KMT2ACYP2C9CYP2C8HCAR2SMN1; SMN2
SCHEMBL6791019 0.70 ALDH1A1 (0.80) TRPM2KMT2AMAPTHTTALDH1A1
SCHEMBL6791025 0.70 ALDH1A1 (0.80) TRPM2KMT2AMAPTHTTALDH1A1
SCHEMBL14340871 0.70 HCAR2 (0.74) KMT2ACYP2C9CYP2C8HCAR2SMN1; SMN2
SCHEMBL14340918 0.70 HPGD (0.42) KMT2ACYP2C9CYP3A4MAPTHTT

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 TRPM2 822/4885KMT2A 3675/4885CYP2C9 768/4885

“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.