SCHEMBL3030438

SCHEMBL3030438

SCCCCCc1nc2ccccc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
MAPT P10636 2/20 0.68
RAB9A P51151 2/20 0.68
LOXL2 Q9Y4K0 1/20 0.60
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
DRD3 P35462 8/20 0.50
DRD2 P14416 6/20 0.50
DRD4 P21917 4/20 0.50
DRD1 P21728 2/20 0.50
HTR1A P08908 2/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL11399187 0.89 MAPT (0.84) NPC1MAPTRAB9ALOXL2TP53
SCHEMBL9642061 0.86 MAPT (0.84) NPC1MAPTRAB9ALOXL2TP53
SCHEMBL3030436 0.83 NPC1 (0.68) NPC1MAPTRAB9ALOXL2TP53
SCHEMBL2567453 0.83 MAPT (0.68) NPC1MAPTRAB9ALOXL2TP53
SCHEMBL11623669 0.83 MAPT (0.68) NPC1MAPTRAB9ALOXL2TP53
SCHEMBL3105779 0.83 NPC1 (0.68) NPC1MAPTRAB9ALOXL2TP53
SCHEMBL8424117 0.83 LOXL2 (0.75) NPC1MAPTRAB9ALOXL2TP53
SCHEMBL7793708 0.83 MAPT (0.68) NPC1MAPTRAB9ALOXL2TP53
SCHEMBL6206772 0.83 NPC1 (0.68) NPC1MAPTRAB9ALOXL2TP53
SCHEMBL14402606 0.83 MAPT (0.68) NPC1MAPTRAB9ALOXL2TP53

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 NPC1 459/4885MAPT 3336/4885RAB9A 2623/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 NPC1 115/4885MAPT 3929/4885RAB9A 3137/4885

“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.