SCHEMBL657181

SCHEMBL657181

O=C(c1cc2cc(Br)ccc2o1)c1cccs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
NPC1 O15118 7/20 0.70
MAPT P10636 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
ALOX15 P16050 1/20 0.70
MAPK1 P28482 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
PIM1 P11309 1/20 0.57
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 3/20 0.45
KMT2A Q03164 1/20 0.45
BCAT1 P54687 1/20 0.45
FLT3 P36888 3/20 0.45
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL29848069 0.82 MAPT (1.00) RAB9ANPC1MAPTSMN1; SMN2ALOX15
SCHEMBL30100834 0.81 NPC1 (0.71) RAB9ANPC1MAPTSMN1; SMN2ALOX15
SCHEMBL13309209 0.81 PIM1 (0.48) RAB9ANPC1MAPTSMN1; SMN2ALOX15
SCHEMBL1602739 0.77 RAB9A (0.69) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL30629233 0.77 RAB9A (0.69) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL8707964 0.76 PIM1 (0.68) RAB9ANPC1MAPTSMN1; SMN2MAPK1
SCHEMBL3984529 0.75 MAPT (0.57) RAB9ANPC1MAPTSMN1; SMN2ALOX15
SCHEMBL29523120 0.74 PIM1 (1.00) RAB9ANPC1MAPTSMN1; SMN2PIM1
SCHEMBL2198563 0.74 PIM1 (1.00) RAB9ANPC1MAPTSMN1; SMN2PIM1
SCHEMBL2705460 0.74 PIM1 (0.74) RAB9ANPC1MAPTSMN1; SMN2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-23 US disclosed
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
EP-1558571-B1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-02 EP disclosed
US-7709528-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-04 US disclosed
US-20060287393-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2006-12-21 US disclosed
EP-1558571-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
US-20050080115-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-04-14 US disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
WO-2004037775-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 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 (4 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-20060287393-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA RAB9A 2523/4885NPC1 500/4885MAPT 3498/4885
US-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA RAB9A 2523/4885NPC1 500/4885MAPT 3498/4885
US-20050080115-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA RAB9A 2523/4885NPC1 500/4885MAPT 3498/4885
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE PPARG, PPARD, PPARA RAB9A 2523/4885NPC1 500/4885MAPT 3498/4885

“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.