SCHEMBL987852

SCHEMBL987852

Oc1ccc(C=Cc2ccncc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
KMT2A Q03164 4/20 0.57
APP P05067 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 4/20 0.56
NPC1 O15118 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 3/20 0.56
HPGD P15428 3/20 0.56
CYP2C19 P33261 3/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA3 P07451 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56

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
SCHEMBL987851 1.00 RAB9A (0.57) RAB9AKMT2AAPPSMN1; SMN2MAPT
SCHEMBL9804661 0.93 CYP3A4 (0.52) RAB9AKMT2AAPPSMN1; SMN2MAPT
SCHEMBL9966009 0.87 MAPT (0.65) RAB9AKMT2ASMN1; SMN2MAPTNPC1
SCHEMBL135604 0.87 MAPT (0.65) RAB9AKMT2ASMN1; SMN2MAPTNPC1
SCHEMBL9678787 0.84 APP (0.74) RAB9AKMT2AAPPSMN1; SMN2MAPT
Trans-4,4'-Dihydroxystilbene SCHEMBL491346 0.84 APP (0.74) RAB9AKMT2AAPPSMN1; SMN2MAPT
SCHEMBL138489 0.84 MAPT (0.61) RAB9AKMT2ASMN1; SMN2MAPTNPC1
Trans-4,4'-Dihydroxystilbene SCHEMBL145659 0.84 APP (0.74) RAB9AKMT2AAPPSMN1; SMN2MAPT
SCHEMBL6266983 0.84 APP (0.74) RAB9AKMT2AAPPSMN1; SMN2MAPT
Trans-4,4'-Dihydroxystilbene SCHEMBL13339135 0.84 APP (0.74) RAB9AKMT2AAPPSMN1; SMN2MAPT

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108863911-B Preparation method and application of turn-on type mercury ion fluorescent probe 山西大学 2020-07-10 CN claimed
WO-2011017916-A1 SOLVATOCHROMIC FUNCTIONAL MONOMER AND USE THEREOF FOR CHEMOSENSING BY SOLVATOCHROMIC MOLECULAR IMPRINTING CITY UNIVERSITY OF HONG KONG (CN) 2011-02-17 WO claimed
US-20110003397-A1 Solvatochromic functional monomer and the use thereof for chemosensing by solvatochromic molecular imprinting CITY UNIVERSITY OF HONG KONG (HK) 2011-01-06 US claimed
EP-1161555-B1 4-(4-HYDROXYSTYRYL)PYRIDINE-CONTAINING SUBSTRATES FOR AN ANALYTE DEPENDENT ENZYME ACTIVATION SYSTEM PERKINELMER LAS INC (US) 2008-01-02 EP claimed
WO-2006078941-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-27 WO claimed
EP-1161555-A4 4-(4-HYDROXYSTYRYL)PYRIDINE-CONTAINING SUBSTRATES FOR AN ANALYTE DEPENDENT ENZYME ACTIVATION SYSTEM NEN LIFE SCIENCE PROD INC (US) 2004-12-22 EP claimed
JP-2003524768-A 2003-08-19 JP claimed
US-6355443-B1 4-(4-hydroxystyryl) pyridine-containing substrates for an analyte dependent enzyme activation system BOBROW MARK NORMAN (US) 2002-03-12 US claimed
WO-2000055358-A9 4-(4-HYDROXYSTYRYL)PYRIDINE-CONTAINING SUBSTRATES FOR AN ANALYTE DEPENDENT ENZYME ACTIVATION SYSTEM NEN LIFE SCIENCE PROD INC (US) 2002-01-03 WO claimed
EP-1161555-A1 4-(4-HYDROXYSTYRYL)PYRIDINE-CONTAINING SUBSTRATES FOR AN ANALYTE DEPENDENT ENZYME ACTIVATION SYSTEM NEN Life Science Products, Inc. (US) 2001-12-12 EP claimed
WO-2000055358-A1 4-(4-HYDROXYSTYRYL)PYRIDINE-CONTAINING SUBSTRATES FOR AN ANALYTE DEPENDENT ENZYME ACTIVATION SYSTEM NEN LIFE SCIENCE PRODUCTS, INC. (US) 2000-09-21 WO claimed
CN-108863911-B Preparation method and application of turn-on type mercury ion fluorescent probe 山西大学 2020-07-10 CN disclosed
CN-108863911-B Preparation method and application of turn-on type mercury ion fluorescent probe 山西大学 2020-07-10 CN disclosed
US-8338553-B2 Solvatochromic molecularly imprinted polymer for chemosensing CITY UNIVERSITY OF HONG KONG (HK) 2012-12-25 US disclosed
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
EP-0559695-B1 NEW PYRIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER MANNHEIM GMBH (DE) 1997-01-22 EP disclosed
US-5399575-A Antiallergens BOEHRINGER MANNHEIM GMBH (DE) 1995-03-21 US disclosed
EP-0559695-A1 NEW PYRIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS. BOEHRINGER MANNHEIM GMBH (DE) 1993-09-15 EP disclosed
WO-1992009598-A1 NEW PYRIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER MANNHEIM GMBH (DE) 1992-06-11 WO disclosed
US-4444868-A CONTAINING STYRYL-TYPE NITROGEN-HETEROCYCLE RESIDUE POLYMER AND ACID AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1984-04-24 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 (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-20110003397-A1 Solvatochromic functional monomer and the use thereof for chemosensing by solvatochromic molecular imprinting CMKLR2, CMKLR1, CCR3 RAB9A 4401/4885KMT2A 3911/4885APP 4363/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 RAB9A 1630/4885KMT2A 2312/4885APP 1811/4885

“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.