SCHEMBL7083771

SCHEMBL7083771

O=C1CCCN1CCCn1c2c(c(=O)[nH]c1=O)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.52
▸ ALDH1A1 P00352 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ HPGD P15428 1/20 0.36

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 0.76 PARP1 (0.55) PARP1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL5887737 0.75 PARP1 (0.55) PARP1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL7083243 0.75 PARP1 (0.51) PARP1KDM4EMAPTKMT2AMEN1
SCHEMBL5424673 0.73 PIK3CD (0.54) KMT2AMEN1
SCHEMBL10481722 0.70 PIK3CD (0.50) KMT2AMEN1
SCHEMBL5887934 0.69 PARP1 (0.48) PARP1ALDH1A1MAPT
SCHEMBL7265729 0.69 CYP1A2 (0.55) KMT2AMEN1
SCHEMBL989008 0.68 PIK3CD (0.52) KMT2AMEN1
SCHEMBL19514132 0.68 PIK3CD (0.52) KMT2AMEN1
SCHEMBL31632694 0.68 PIK3CD (0.52) KMT2AMEN1

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-6649618-B2 Prevention and/or therapy of ischaemia and reperfusion damage; poly(ADP-ribose)-synthetase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2003-11-18 — — US disclosed
US-20030022905-A1 Substituted amidoalkyl-uracils and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-30 — — 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-20030022905-A1 Substituted amidoalkyl-uracils and their use UNG, UMPS, TYMP PARP1 283/4885ALDH1A1 158/4885HSD17B10 2650/4885

“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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