SCHEMBL14914293

SCHEMBL14914293

CCOC(=O)C(CC)(C(=O)O)c1cccn(-c2ccc([N+](=O)[O-])cc2COC)c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
ELANE P08246 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
MITF O75030 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F2RL3 Q96RI0 1/20 0.33

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
SCHEMBL14914294 0.80 ALDH1A1 (0.38) ALDH1A1POLBLMNAKMT2AF2RL3
SCHEMBL12179656 0.78 ALDH1A1 (0.37) ALDH1A1POLBLMNATDP1MAPT
SCHEMBL3750648 0.77 F2RL3 (0.40) ALDH1A1LMNATDP1MAPTKMT2A
SCHEMBL12179475 0.77 CYP1A2 (0.43) ALDH1A1LMNAMAPTKMT2AF2
SCHEMBL2475555 0.76 F2 (0.44) ALDH1A1POLBLMNAMAPTKMT2A
SCHEMBL3644933 0.74 MAPT (0.44) ALDH1A1LMNATDP1MAPTKMT2A
SCHEMBL2471752 0.74 MEN1 (0.41) ALDH1A1POLBLMNAMAPTKMT2A
SCHEMBL2474307 0.72 F2RL3 (0.38) ALDH1A1POLBLMNAMAPTKMT2A
SCHEMBL3682420 0.71 ALDH1A1 (0.39) ALDH1A1LMNATDP1MAPTKMT2A
SCHEMBL12196584 0.71 ALDH1A1 (0.35) ALDH1A1POLBLMNAMAPTKMT2A

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-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 1848/4885LMNA 1370/4885

“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.