SCHEMBL5652540

SCHEMBL5652540

O=C(NCCN1CCOCC1)c1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
CD274 Q9NZQ7 1/20 0.52
LMNA P02545 3/20 0.51
PARP1 P09874 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM5B Q9UGL1 2/20 0.48
MMP12 P39900 1/20 0.48
HPGDS O60760 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5652071 0.95 HTT (0.51) HPGDCD274LMNAKMT2AKDM4E
SCHEMBL5653732 0.92 PARP1 (0.47) HPGDCD274LMNAPARP1KMT2A
SCHEMBL5651037 0.91 PARP1 (0.46) HPGDLMNAPARP1KMT2AKDM4E
SCHEMBL2953745 0.87 LMNA (0.51) HPGDCD274LMNAPARP1KMT2A
SCHEMBL5651076 0.84 BCL2L1 (0.47) HPGDLMNAPARP1KMT2AKDM4E
SCHEMBL2958448 0.82 ALDH1A1 (0.50) HPGDLMNAKMT2AKDM4EALDH1A1
SCHEMBL5654415 0.81 HIF1A (0.38) HPGDLMNAKMT2AKDM4EALDH1A1
SCHEMBL5652095 0.81 HPGD (0.45) HPGDLMNAKMT2AKDM4EALDH1A1
SCHEMBL5649437 0.80 HPGD (0.44) HPGDLMNAKMT2AKDM4EALDH1A1
SCHEMBL5649529 0.79 NPC1 (0.50) KDM4EALDH1A1GAASMN1; SMN2

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 HPGD 1929/4885CD274 1687/4885LMNA 1417/4885

“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.