SCHEMBL3306358

SCHEMBL3306358

CCOC(=O)Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
HSD17B10 Q99714 3/20 0.72
GAA P10253 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
NPC1 O15118 1/20 0.71
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
RECQL P46063 1/20 0.57
POLB P06746 1/20 0.57
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
STAT1 P42224 1/20 0.50
NPEPPS P55786 1/20 0.49
TP53 P04637 3/20 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
SCHEMBL4431823 0.82 MAPT (0.52) MAPTHSD17B10GAASMN1; SMN2NPC1
SCHEMBL27767450 0.79 GAA (0.61) MAPTHSD17B10GAASMN1; SMN2NPC1
SCHEMBL6970729 0.77 GAA (0.64) MAPTHSD17B10GAASMN1; SMN2NPC1
SCHEMBL23997319 0.76 LMNA (0.60) MAPTHSD17B10GAAALDH1A1CYP1A2
SCHEMBL30345078 0.76 LMNA (0.60) MAPTHSD17B10GAAALDH1A1CYP1A2
SCHEMBL13290724 0.76 HSD17B10 (0.59) MAPTHSD17B10GAASMN1; SMN2NPC1
SCHEMBL13819177 0.76 GAA (0.57) MAPTHSD17B10GAASMN1; SMN2NPC1
SCHEMBL13332558 0.75 CYP1A2 (0.62) MAPTHSD17B10GAASMN1; SMN2NPC1
SCHEMBL8214616 0.75 GAA (0.69) MAPTHSD17B10GAASMN1; SMN2NPC1
SCHEMBL27593944 0.74 GAA (0.55) MAPTHSD17B10GAASMN1; SMN2NPC1

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
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 US disclosed
EP-2132186-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis AG (CH) 2009-12-16 EP disclosed
WO-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 MAPT 3853/4885HSD17B10 1968/4885GAA 3983/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 MAPT 4020/4885HSD17B10 1725/4885GAA 3741/4885

“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.