SCHEMBL3532979

SCHEMBL3532979

O=C1CCCNc2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.47
PARP11 Q9NR21 1/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
MPI P34949 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PARP1 P09874 1/20 0.44
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40

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
SCHEMBL29676514 0.89 MEN1 (0.54) PARP10PARP11ALDH1A1LMNAMEN1
SCHEMBL16794237 0.89 MEN1 (0.54) PARP10PARP11ALDH1A1LMNAMEN1
SCHEMBL6339024 0.86 MEN1 (0.47) PARP10PARP11ALDH1A1LMNAMEN1
SCHEMBL30051842 0.79 GAA (0.44) PARP10ALDH1A1LMNAMEN1HPGD
SCHEMBL3531650 0.79 GAA (0.44) PARP10ALDH1A1LMNAMEN1HPGD
SCHEMBL30430237 0.77 PARP10 (0.61) PARP10PARP11PARP1KDRCMA1
SCHEMBL3065999 0.77 PARP10 (0.61) PARP10PARP11PARP1KDRCMA1
SCHEMBL15415006 0.76 MEN1 (0.63) PARP10PARP11ALDH1A1LMNAMEN1
SCHEMBL6409810 0.76 HTT (0.48) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL1451498 0.76 PARP10 (0.48) PARP10PARP11ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 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 (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-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 PARP10 3230/4885PARP11 3017/4885ALDH1A1 2112/4885

“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.