SCHEMBL3727751

SCHEMBL3727751

O/N=C1\CCNc2c(Br)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PIM1 P11309 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK5 Q00535 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
PARP1 P09874 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3727752 1.00 PARP10 (0.42) PARP10PARP11LMNAHSD17B10HPGD
SCHEMBL15717148 0.80 LMNA (0.40) LMNAHSD17B10HPGDL3MBTL1NPSR1
SCHEMBL15717147 0.80 LMNA (0.40) LMNAHSD17B10HPGDL3MBTL1NPSR1
SCHEMBL28383046 0.77 CTSL (0.58) L3MBTL1NPSR1ALDH1A1CTSL
SCHEMBL30881870 0.76 LMNA (0.37) LMNAHSD17B10HPGDL3MBTL1NPSR1
SCHEMBL3721515 0.74 PARP1 (0.31) PARP10PARP1
SCHEMBL3721514 0.74 PARP1 (0.31) PARP10PARP1
SCHEMBL3715989 0.74 MAPT (0.64) PARP10PARP11LMNAHSD17B10HPGD
SCHEMBL11141152 0.72 HPGD (0.47) PARP10PARP11LMNAHSD17B10HPGD
SCHEMBL13738168 0.72 LMNA (0.49) PARP10PARP11LMNAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231668-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
WO-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 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-20090197856-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, EIF2AK2, MAVS PARP10 4419/4885PARP11 4605/4885LMNA 2855/4885

“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.