SCHEMBL3030729

SCHEMBL3030729

[S]CCCCCCc1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
DRD2 P14416 7/20 0.57
HTR7 P34969 7/20 0.57
HTR1A P08908 6/20 0.57
SLC6A4 P31645 3/20 0.57
UBE2T Q9NPD8 1/20 0.54
ASIC3 Q9UHC3 1/20 0.54
PDE10A Q9Y233 1/20 0.51
HTR2A P28223 5/20 0.51
HTR2C P28335 3/20 0.51
LMNA P02545 1/20 0.51
DRD3 P35462 6/20 0.50
DRD4 P21917 4/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
DRD1 P21728 1/20 0.48

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
Bromide SCHEMBL11522514 0.90 SMN1; SMN2 (0.66) SMN1; SMN2ALOX15HTTDRD2HTR7
SCHEMBL9641726 0.86 SMN1; SMN2 (0.70) SMN1; SMN2ALOX15HTTDRD2HTR7
SCHEMBL30093449 0.83 ALOX15 (0.59) SMN1; SMN2ALOX15HTTDRD2HTR7
SCHEMBL9155744 0.83 ALOX15 (0.59) SMN1; SMN2ALOX15HTTDRD2HTR7
SCHEMBL29111661 0.83 UBE2T (0.64) SMN1; SMN2ALOX15HTTDRD2HTR7
SCHEMBL29858270 0.83 ALOX15 (0.59) SMN1; SMN2ALOX15HTTDRD2HTR7
SCHEMBL4703105 0.83 UBE2T (0.64) SMN1; SMN2ALOX15HTTDRD2HTR7
SCHEMBL4700806 0.83 UBE2T (0.64) SMN1; SMN2ALOX15HTTDRD2HTR7
SCHEMBL11596488 0.83 ALOX15 (0.59) SMN1; SMN2ALOX15HTTDRD2HTR7
SCHEMBL5543152 0.83 SMN1; SMN2 (0.59) SMN1; SMN2ALOX15HTTDRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA SMN1; SMN2 2610/4885ALOX15 438/4885HTT 2583/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 SMN1; SMN2 4209/4885ALOX15 622/4885HTT 3946/4885

“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.