SCHEMBL5651062

SCHEMBL5651062

O=C(c1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
HPGD P15428 10/20 0.47
HSD17B10 Q99714 5/20 0.47
MAPT P10636 4/20 0.47
ALOX15 P16050 4/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TLR9 Q9NR96 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL5648449 0.90 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10MAPTALOX15
SCHEMBL3831132 0.85 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10MAPTALOX15
SCHEMBL5650705 0.84 KMT2A (0.43) ALDH1A1HPGDMAPTMAPK1KDM4E
SCHEMBL2780301 0.84 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10MAPTALOX15
SCHEMBL5649654 0.82 ALDH1A1 (0.44) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL2779258 0.81 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10MAPTALOX15
SCHEMBL2958889 0.81 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10MAPTALOX15
SCHEMBL2959276 0.80 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10MAPTALOX15
SCHEMBL5647917 0.80 ALOX5 (0.41) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL5653732 0.79 PARP1 (0.47) ALDH1A1HPGDHSD17B10MAPTKDM4E

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 ALDH1A1 1498/4885HPGD 1929/4885HSD17B10 3720/4885

“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.