SCHEMBL5652629

SCHEMBL5652629

CNC(=O)c1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX5 P09917 1/20 0.40
IKBKB O14920 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
TGM2 P21980 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
DPP4 P27487 1/20 0.34
ADORA1 P30542 1/20 0.34

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 0.87 HPGD (0.44) HPGDALDH1A1ALOX5KDM4ENPC1
SCHEMBL5650705 0.86 KMT2A (0.43) HPGDALDH1A1NPSR1KDM4ERAB9A
SCHEMBL5647917 0.84 ALOX5 (0.41) HPGDALDH1A1ALOX5KDM4ENPC1
SCHEMBL5649654 0.84 ALDH1A1 (0.44) HPGDALDH1A1NPSR1ALOX5IKBKB
SCHEMBL5652095 0.83 HPGD (0.45) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL5648881 0.82 KMT2A (0.37) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL5654415 0.82 HIF1A (0.38) HPGDALDH1A1KDM4ERAB9AKMT2A
SCHEMBL5652375 0.82 SMN1; SMN2 (0.46) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL2780292 0.82 ALDH1A1 (0.44) PLK1HPGDALDH1A1NPSR1KDM4E
SCHEMBL5651227 0.81 ALDH1A1 (0.47) HPGDALDH1A1KDM4ENPC1RAB9A

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 PLK1 1796/4885HPGD 1929/4885ALDH1A1 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.