SCHEMBL5887737

SCHEMBL5887737

O=C(O)CCCn1c2c(c(=O)[nH]c1=O)CCCC2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.55
▸ MAPT P10636 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ APEX1 P27695 1/20 0.41

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
SCHEMBL5887934 0.82 PARP1 (0.48) PARP1MAPTALDH1A1
SCHEMBL5887856 0.81 PARP1 (0.54) PARP1
SCHEMBL7083243 0.77 PARP1 (0.51) PARP1MAPTHTTKDM4E
SCHEMBL7083771 0.75 PARP1 (0.52) PARP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL7080676 0.71 PARP1 (0.49) PARP1
SCHEMBL4185101 0.71 APEX1 (0.55) ALDH1A1KDM4EMAPK1HSD17B10APEX1
SCHEMBL6520401 0.71 APEX1 (0.78) ALDH1A1KDM4EMAPK1HSD17B10APEX1
SCHEMBL2598457 0.68 MAPT (0.50) PARP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL20245334 0.68 MAPT (0.47) PARP1MAPT
SCHEMBL7344985 0.67 KDM4E (0.49) ALDH1A1KDM4EMAPK1HSD17B10APEX1

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-7125995-B2 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (PARS) BAYER AKTIENGESELLSCHAFT (DE) 2006-10-24 — — US disclosed
US-20050075347-A1 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (pars) BAYER AKTIENGESELLSCHAFT (DE) 2005-04-07 — — 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-20050075347-A1 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (pars) UNG, UMPS, PARP1 PARP1 3/4885MAPT 3186/4885ALDH1A1 447/4885

“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.

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