SCHEMBL5148666

SCHEMBL5148666

N#CC=Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.60
LCK P06239 1/20 0.59
GSK3B P49841 3/20 0.57
BACE1 P56817 3/20 0.57
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
CYP1A2 P05177 2/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PPARG P37231 1/20 0.51

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
SCHEMBL5148664 1.00 MAOB (0.60) MAOBLCKGSK3BBACE1RAB9A
SCHEMBL20024692 0.84 LCK (0.77) MAOBLCKGSK3BBACE1RAB9A
SCHEMBL14786203 0.84 LCK (0.77) MAOBLCKGSK3BBACE1RAB9A
SCHEMBL8913578 0.83 LCK (0.81) MAOBLCKGSK3BBACE1RAB9A
SCHEMBL8913590 0.83 LCK (0.81) MAOBLCKGSK3BBACE1RAB9A
SCHEMBL7006802 0.80 KDM4E (0.56) MAOBGSK3BBACE1RAB9ANPC1
SCHEMBL7006805 0.80 KDM4E (0.56) MAOBGSK3BBACE1RAB9ANPC1
SCHEMBL38650740 0.80 LCK (0.66) MAOBLCKGSK3BBACE1RAB9A
SCHEMBL2092418 0.78 LCK (0.64) MAOBLCKGSK3BBACE1RAB9A
SCHEMBL11896472 0.78 LCK (0.64) MAOBLCKGSK3BBACE1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
CN-100482647-C Pyrazole derivatives useful as COX-I inhibitors ASTELLAS PHARMACY CO LTD (JP) 2009-04-29 CN disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
CN-1717393-A Pyrazole derivatives as COX-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2006-01-04 CN disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO disclosed
US-5721240-A PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
US-5565463-A PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 1996-10-15 US disclosed
EP-0460116-A4 9-SUBSTITUTED-8-UNSUBSTITUTED-9-DEAZAGUANINES 1992-05-13 EP disclosed
EP-0460116-A1 9-SUBSTITUTED-8-UNSUBSTITUTED-9-DEAZAGUANINES. BIOCRYST (US) 1991-12-11 EP disclosed
WO-1990010631-A1 9-SUBSTITUTED-8-UNSUBSTITUTED-9-DEAZAGUANINES BIOCRYST (US) 1990-09-20 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 (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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 MAOB 601/4885LCK 2292/4885GSK3B 2569/4885

“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.