SCHEMBL5410564

SCHEMBL5410564

O=C(O)CC1CCNC(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP3 Q9Y6F1 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FFAR1 O14842 1/20 0.39
▸ PARP1 P09874 3/20 0.39
▸ PARP10 Q53GL7 2/20 0.39
▸ PARP11 Q9NR21 2/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGAV P06756 2/20 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
SCHEMBL8367985 0.80 EGFR (0.45) HSD17B10TP53L3MBTL1FFAR1ALDH1A1
SCHEMBL30978693 0.73 TP53 (0.46) TP53L3MBTL1FFAR1CYP1A2TSHR
SCHEMBL569181 0.73 TP53 (0.46) TP53L3MBTL1FFAR1CYP1A2TSHR
SCHEMBL2645035 0.70 HSD17B10 (0.73) HSD17B10PARP1CYP1A2TSHREGFR
SCHEMBL18215418 0.70 HSD17B10 (0.73) HSD17B10PARP1CYP1A2TSHREGFR
SCHEMBL18215470 0.70 HSD17B10 (0.73) HSD17B10PARP1CYP1A2TSHREGFR
SCHEMBL31133079 0.70 HSD17B10 (0.73) HSD17B10PARP1CYP1A2TSHREGFR
SCHEMBL26057363 0.70 TSHR (0.47) TP53L3MBTL1ALDH1A1TSHRSMN1; SMN2
SCHEMBL28528399 0.69 HTR2A (0.60) TP53L3MBTL1FFAR1CYP1A2TSHR
SCHEMBL7110000 0.69 PARP3 (0.39) PARP3HSD17B10PARP1PARP10PARP11

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-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 — — US disclosed
US-20040063934-A1 Integrin ligands ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-01 — — 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-20040063934-A1 Integrin ligands ITGB3, ITGAV, ITGAL PARP3 838/4885HSD17B10 4781/4885TP53 3047/4885

“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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