SCHEMBL5651037

SCHEMBL5651037

O=C(NCCN1CCCCC1)c1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
HTR3A P46098 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 2/20 0.41
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
APP P05067 1/20 0.40
BTK Q06187 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5653732 0.99 PARP1 (0.47) PARP1KDM4ELMNAMAPTCA1
SCHEMBL5652540 0.91 HPGD (0.52) PARP1KDM4ELMNAMAPTCA1
SCHEMBL2958735 0.86 MEN1 (0.47) PARP1KDM4ELMNAMAPTHTR3A
SCHEMBL5651076 0.86 BCL2L1 (0.47) PARP1KDM4ELMNAMAPTCA1
SCHEMBL5652071 0.85 HTT (0.51) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL5654415 0.83 HIF1A (0.38) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL5652095 0.82 HPGD (0.45) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL5649437 0.81 HPGD (0.44) KDM4ELMNAMAPTKMT2APOLB
SCHEMBL2950047 0.79 HTR3A (0.44) PARP1KDM4EHTR3AMEN1KMT2A
SCHEMBL5652375 0.79 SMN1; SMN2 (0.46) KDM4ELMNAMAPTMEN1KMT2A

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 5 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 claimed
US-20050059681-A1 Far field light microscopical method system and computer program product for analysing at least one object having a subwavelength size RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2005-03-17 US claimed
US-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives UCB PHARMA S.A. (BE) 2004-12-16 US claimed
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 (2 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-20050059681-A1 Far field light microscopical method system and computer program product for analysing at least one object having a subwavelength size CFL1, INF2, COG6 PARP1 3419/4885KDM4E 4849/4885LMNA 2270/4885
US-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives MAPK1, ALK, NAT1 PARP1 336/4885KDM4E 3821/4885LMNA 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.