SCHEMBL6286022

SCHEMBL6286022

CC(C(=O)O)n1c(=O)c([N+](=O)[O-])cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.38
CASP6 P55212 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
DAO P14920 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL6286028 1.00 HTR4 (0.38) HTR4CASP6HTTCYP1A2HPGD
SCHEMBL6287877 0.81 HTR4 (0.41) HTR4KMT2ADAOMCL1
SCHEMBL20037330 0.74 KMT2A (0.46) HTTCYP1A2KMT2AMEN1DAO
SCHEMBL4874928 0.73 MCL1 (0.42) HTTHPGDKMT2AMEN1DAO
SCHEMBL8621736 0.72 SIRT2 (0.43) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL28832049 0.69 KDM4E (0.59) HTTKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL21359462 0.69 OXER1 (0.46) MCL1ALDH1A1
SCHEMBL18180382 0.68 KMT2A (0.45) HTTKMT2ALMNA
SCHEMBL27829684 0.68 KMT2A (0.50) HTR4HTTKMT2AMEN1LMNA
SCHEMBL8621659 0.68 SIRT2 (0.43) CYP1A2HPGDKMT2ALMNAMAPT

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
US-20050165062-A1 Substituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-28 US disclosed
US-6870056-B1 Substitituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-03-22 US disclosed
US-6867217-B1 Substituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-03-15 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-20050165062-A1 Substituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 HTR4 898/4885CASP6 221/4885HTT 2206/4885

“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.