SCHEMBL6029294

SCHEMBL6029294

NC(=O)c1cccc2[nH]c(-c3ccc(OCCN4CCN(NC(=O)c5ccccc5)CC4)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
DHODH Q02127 1/20 0.47
KDR P35968 4/20 0.42
FLT3 P36888 4/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CHEK1 O14757 1/20 0.42
GAA P10253 1/20 0.41
DRD2 P14416 5/20 0.41
DRD3 P35462 5/20 0.41
CHEK2 O96017 1/20 0.41
FLT1 P17948 2/20 0.40
AURKA O14965 2/20 0.40
KCNA5 P22460 2/20 0.40
LTA4H P09960 2/20 0.40
GCGR P47871 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
SCHEMBL5074086 0.89 PARP1 (0.49) PARP1DHODHKDRHRH3CHEK1
SCHEMBL6029241 0.87 DHODH (0.46) PARP1DHODHKDRFLT3HRH3
SCHEMBL5073313 0.85 PARP1 (0.51) PARP1DHODHKDRHRH3GAA
SCHEMBL5074012 0.85 PARP1 (0.54) PARP1DHODHHRH3CHEK1DRD2
SCHEMBL5074089 0.85 PARP1 (0.63) PARP1DHODHKDRFLT3HRH3
SCHEMBL5074112 0.84 PARP1 (0.53) PARP1DHODHHRH3CHEK1DRD2
SCHEMBL5072000 0.84 PARP1 (0.53) PARP1DHODHHRH3CHEK1GAA
SCHEMBL5077311 0.84 PARP1 (0.65) PARP1DHODHKDRFLT3HRH3
SCHEMBL5072040 0.83 PARP1 (0.54) PARP1DHODHHRH3CHEK1DRD2
SCHEMBL6028915 0.75 PARP1 (0.47) PARP1DHODHKDRHRH3CHEK1

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-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 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-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 PARP1 1/4885DHODH 674/4885KDR 1914/4885

“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.