SCHEMBL14340931

SCHEMBL14340931

CC(Cc1ccc(-c2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.50
CYP2C8 P10632 2/20 0.50
CYP2C9 P11712 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EIF4A1 P60842 1/20 0.44
NPC1 O15118 1/20 0.42
PPARG P37231 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL27546635 0.88 KMT2A (0.58) HCAR2CYP2C8CYP2C9SMN1; SMN2MEN1
SCHEMBL14340853 0.87 HCAR2 (0.66) HCAR2CYP2C8CYP2C9MEN1KMT2A
SCHEMBL14340930 0.85 HCAR2 (0.53) HCAR2CYP2C8CYP2C9MEN1KMT2A
SCHEMBL14340871 0.82 HCAR2 (0.74) HCAR2CYP2C8CYP2C9SMN1; SMN2MEN1
SCHEMBL14340927 0.80 EIF4A1 (0.46) SMN1; SMN2MEN1KMT2AEIF4A1NPC1
SCHEMBL28745978 0.79 ALDH1A1 (0.50) CYP2C9SMN1; SMN2MEN1KMT2AABCG2
SCHEMBL27567052 0.77 KMT2A (0.59) HCAR2CYP2C8CYP2C9MEN1KMT2A
SCHEMBL28743611 0.74 RAB9A (0.55) HCAR2CYP2C8CYP2C9MEN1KMT2A
SCHEMBL27537186 0.74 HCAR2 (0.55) HCAR2CYP2C8CYP2C9MEN1KMT2A
SCHEMBL27520066 0.74 KMT2A (0.65) HCAR2CYP2C8CYP2C9MEN1KMT2A

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 HCAR2 7/4885CYP2C8 925/4885CYP2C9 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.