SCHEMBL5652682

SCHEMBL5652682

NC(=O)c1sc2c(ccc(=O)n2-c2ccccc2[N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.33
HCAR1 Q9BXC0 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
FASN P49327 1/20 0.33
ALOX5 P09917 2/20 0.33
KCNH2 Q12809 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL5648156 0.91 FBP1 (0.42) FBP1ALDH1A1GRM5CYP1A2CYP3A4
SCHEMBL5651917 0.84 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5649654 0.81 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL5651272 0.73 MAPK14 (0.39) ALDH1A1HPGDCYP2C9CYP2C19LMNA
SCHEMBL5649242 0.73 MAPK14 (0.37) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL2952888 0.71 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5648881 0.70 KMT2A (0.37) ALDH1A1HPGDSMN1; SMN2MAPTTDP1
SCHEMBL5651787 0.69 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2LMNAGAA
SCHEMBL2954147 0.68 MAPK1 (0.37) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL2958928 0.67 CXCR2 (0.38) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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-7176215-B2 Bicyclic oxopyridine and oxopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2007-02-13 US disclosed
US-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives UCB PHARMA S.A. (BE) 2004-12-16 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-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives MAPK1, ALK, NAT1 FBP1 1188/4885ALDH1A1 1498/4885HPGD 1929/4885

“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.