SCHEMBL5887934

SCHEMBL5887934

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.48
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ TNF P01375 1/20 0.43
▸ TPH1 P17752 1/20 0.41
▸ TPH2 Q8IWU9 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
SCHEMBL14921953 0.78 PARP1 (0.55) PARP1LMNAALDH1A1MAPT
SCHEMBL7083243 0.74 PARP1 (0.51) PARP1LMNAMAPT
SCHEMBL7308089 0.71 TNF (0.62) PARP1LMNAMAPTTNF
SCHEMBL11210331 0.70 TNF (0.58) ALDH1A1TNF
SCHEMBL12805099 0.70 HDAC1 (0.67) LMNAALDH1A1TNF
SCHEMBL7083771 0.69 PARP1 (0.52) PARP1ALDH1A1MAPT
SCHEMBL5339766 0.69 TSHR (0.40) TNF
SCHEMBL18605983 0.68 MAPT (0.44) PARP1LMNAALDH1A1MAPT
SCHEMBL10830938 0.68 TNF (0.58) LMNAALDH1A1MAPTTNF
SCHEMBL7309296 0.68 TDP1 (0.47) LMNAALDH1A1TNF

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 3/4885LMNA 870/4885ALDH1A1 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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