SCHEMBL5651612

SCHEMBL5651612

O=C(NCC(O)CO)c1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
PRF1 P14222 2/20 0.35
SCN9A Q15858 1/20 0.34
ROCK2 O75116 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
SLC6A4 P31645 3/20 0.32
KCNA5 P22460 3/20 0.32
KCNH2 Q12809 2/20 0.32
PRMT5 O14744 1/20 0.32
CHEK1 O14757 1/20 0.32
CDK1 P06493 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 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
SCHEMBL5649437 0.84 HPGD (0.44) KDM4EALDH1A1HPGD
SCHEMBL5654415 0.83 HIF1A (0.38) KDM4EALDH1A1HPGDPRF1
SCHEMBL5652375 0.81 SMN1; SMN2 (0.46) KDM4EALDH1A1HPGD
SCHEMBL5652095 0.80 HPGD (0.45) KDM4EALDH1A1HPGD
SCHEMBL5652629 0.80 PLK1 (0.41) KDM4EALDH1A1HPGD
SCHEMBL5650705 0.79 KMT2A (0.43) KDM4EALDH1A1HPGD
SCHEMBL5653732 0.78 PARP1 (0.47) KDM4EALDH1A1HPGD
SCHEMBL5651037 0.77 PARP1 (0.46) KDM4EALDH1A1HPGD
SCHEMBL5649654 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HPGDKCNH2
SCHEMBL5652540 0.76 HPGD (0.52) KDM4EALDH1A1HPGD

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 CNR2 233/4885KDM4E 3821/4885ALDH1A1 1498/4885

“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.