SCHEMBL3296103

SCHEMBL3296103

O=C1CCNC(=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 7/20 0.64
PARP1 P09874 7/20 0.64
PARP10 Q53GL7 6/20 0.64
PDPK1 O15530 1/20 0.64
MAP2K1 Q02750 2/20 0.55
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP1 P29466 1/20 0.52
MPI P34949 1/20 0.52
HTT P42858 1/20 0.52
CASP7 P55210 1/20 0.52

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
SCHEMBL22313400 0.98 PARP11 (0.62) PARP11PARP1PARP10PDPK1MAP2K1
SCHEMBL68581 0.78 MEN1 (0.61) PARP11PARP1PARP10PDPK1MAP2K1
SCHEMBL29369705 0.78 PARP10 (1.00) PARP11PARP1PARP10PDPK1CA12
SCHEMBL67710 0.78 PARP10 (1.00) PARP11PARP1PARP10PDPK1CA12
SCHEMBL4567595 0.77 CA12 (0.61) PARP11PARP1PARP10PDPK1HPGD
SCHEMBL4455970 0.77 PARP1 (0.57) PARP11PARP1PARP10PDPK1CASP7
Hydrochloric Acid SCHEMBL7142299 0.77 MEN1 (0.59) PARP11PARP1PARP10PDPK1MAP2K1
Hydrochloric Acid SCHEMBL10647408 0.77 PARP10 (0.96) PARP11PARP1PARP10PDPK1CA12
Hydrochloric Acid SCHEMBL29473284 0.77 MEN1 (0.59) PARP11PARP1PARP10PDPK1MAP2K1
Hydrochloric Acid SCHEMBL5512697 0.77 MEN1 (0.59) PARP11PARP1PARP10PDPK1MAP2K1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723384-B2 Keto lactam compounds and use thereof ABBOTT GMBH & CO. KG. (DE) 2010-05-25 US disclosed
EP-1692129-B1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-08-20 EP disclosed
US-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 US disclosed
US-20070219182-A1 Keto Lactam Compounds and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-09-20 US disclosed
EP-1692129-A1 KETO LACTAM COMPOUNDS AND USE THEREOF Abbott GmbH & Co. KG (DE) 2006-08-23 EP disclosed
WO-2005056546-A1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2005-06-23 WO disclosed
US-6790971-B1 AMIDE OR CARBAMATE FUNCTION AT 11 BETA-POSITION; CLAIMED 3-ONE-DIENE INTERMEDIATE HAS HYDROXYMETHYLALKYL GROUP ON 11 POSITION; ANTIPROGESTOMIMETIC; HORMONE-DEPENDENT TUMORS; ANIMAL HUSBANDRY AVENTIS PHARMA S.A. (FR) 2004-09-14 US disclosed
US-20040063934-A1 Integrin ligands ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-01 US disclosed
EP-1289962-A1 INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
WO-2001096312-A1 INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2001-12-20 WO 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 (2 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 PARP11 1930/4885PARP1 2372/4885PARP10 1472/4885
US-20070219182-A1 Keto Lactam Compounds and Use Thereof OPRD1, DRD3, OPRK1 PARP11 1768/4885PARP1 2468/4885PARP10 2210/4885

“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.