SCHEMBL14340929

SCHEMBL14340929

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 2/20 0.45
CYP2C19 P33261 2/20 0.44
RAB9A P51151 10/20 0.42
SMN1; SMN2 Q16637 10/20 0.42
NPC1 O15118 8/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL14340926 0.85 CYP2C19 (0.45) EIF4A1CYP2C19RAB9ASMN1; SMN2NPC1
SCHEMBL3080086 0.82 TSHR (0.49) CYP2C19ALDH1A1TDP1CYP1A2HPGD
SCHEMBL14340927 0.79 EIF4A1 (0.46) EIF4A1CYP2C19RAB9ASMN1; SMN2NPC1
SCHEMBL8974165 0.78 NPC1 (0.53) CYP2C19RAB9ANPC1MAPTLMNA
SCHEMBL27617094 0.76 RAB9A (0.56) CYP2C19RAB9ANPC1MAPTLMNA
SCHEMBL2947694 0.76 TDP1 (0.61) EIF4A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL14340928 0.76 RAB9A (0.43) EIF4A1CYP2C19RAB9ASMN1; SMN2NPC1
SCHEMBL14988202 0.74 EIF4A1 (0.62) EIF4A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL28596462 0.73 ALDH1A1 (0.57) CYP2C19RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL22164075 0.73 ELANE (0.48) CYP2C19RAB9ASMN1; SMN2NPC1MAPT

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 EIF4A1 4722/4885CYP2C19 484/4885RAB9A 2488/4885

“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.