SCHEMBL14914294

SCHEMBL14914294

CCc1ccn(-c2ccc([N+](=O)[O-])cc2COC)c(=O)c1C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
F2RL3 Q96RI0 1/20 0.34
LMNA P02545 1/20 0.34
KCNJ1 P48048 1/20 0.33
CYP1A2 P05177 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NOX4 Q9NPH5 1/20 0.31
SNCA P37840 1/20 0.31

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
SCHEMBL14914789 0.87 KCNJ1 (0.39) ALDH1A1POLBLMNAKCNJ1CYP1A2
SCHEMBL14914293 0.80 ALDH1A1 (0.36) ALDH1A1POLBF2RL3LMNAKMT2A
SCHEMBL14913483 0.78 ALDH1A1 (0.34) ALDH1A1POLBHTTKMT2A
SCHEMBL12179475 0.75 CYP1A2 (0.43) ALDH1A1F2RL3LMNACYP1A2KMT2A
SCHEMBL2475555 0.74 F2 (0.44) ALDH1A1POLBF2RL3LMNACYP1A2
SCHEMBL3750648 0.73 F2RL3 (0.40) ALDH1A1F2RL3LMNACYP1A2HTT
SCHEMBL3644933 0.72 MAPT (0.44) ALDH1A1F2RL3LMNACYP1A2HTT
SCHEMBL2471752 0.72 MEN1 (0.41) ALDH1A1POLBF2RL3LMNACYP1A2
SCHEMBL12179656 0.71 ALDH1A1 (0.37) ALDH1A1POLBLMNACYP1A2KMT2A
SCHEMBL9054298 0.70 ALDH1A1 (0.48) ALDH1A1POLBCYP1A2HTTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563762-B1 METHOD FOR PRODUCING SUBSTITUTED PYRIDIN-2-ONE BAYER IP GMBH (DE) 2015-07-22 EP disclosed
US-8802860-B2 Method for producing substituted pyridin-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 US disclosed
US-20130116443-A1 METHOD FOR PRODUCING SUBSTITUTED PYRIDIN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-09 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-20130116443-A1 METHOD FOR PRODUCING SUBSTITUTED PYRIDIN-2-ONE PNPO, CYP4B1, DPYD ALDH1A1 488/4885POLB 1848/4885F2RL3 3172/4885

“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.