SCHEMBL200797

SCHEMBL200797

COc1ccc(COc2cc(C#N)cc(-c3ccc4c(c3)OCO4)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAOB P27338 1/20 0.46
AURKA O14965 2/20 0.46
CSNK1E P49674 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
EDNRB P24530 2/20 0.46
EDNRA P25101 2/20 0.46
DYRK1A Q13627 1/20 0.45
PTGER4 P35408 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.41

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
SCHEMBL13175003 0.83 NPC1 (0.53) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL200683 0.80 EDNRB (0.50) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL202296 0.80 EDNRB (0.50) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL200613 0.79 EDNRA (0.49) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL203119 0.76 EDNRA (0.47) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL20634862 0.75 MAPT (0.54) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL6482119 0.74 ALDH1A1 (0.64) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL3930166 0.74 DYRK1A (0.46) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL12637245 0.72 APP (0.59) NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL22119929 0.72 APP (0.50) NPC1RAB9AMAPTMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411358-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US 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-20100240678-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S NPC1 639/4885RAB9A 2954/4885ALDH1A1 685/4885

“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.