SCHEMBL1604140

SCHEMBL1604140

O=C(/C=C/c1cccnc1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 1.00
MAPT P10636 3/20 1.00
KMT2A Q03164 2/20 1.00
PFKFB3 Q16875 1/20 0.77
CYP1B1 Q16678 9/20 0.74
CYP1A1 P04798 8/20 0.74
CYP1A2 P05177 8/20 0.74
USP2 O75604 1/20 0.72
NPC1 O15118 2/20 0.70
CYP3A4 P08684 6/20 0.66
CYP2D6 P10635 5/20 0.66
NTSR1 P30989 1/20 0.66
F3 P13726 2/20 0.66
MEN1 O00255 1/20 0.66
ALDH2 P05091 1/20 0.66
HSPD1 P10809 1/20 0.66
CYP19A1 P11511 1/20 0.66
MAOA P21397 1/20 0.66
MAOB P27338 1/20 0.66
HSPE1 P61604 1/20 0.66

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
SCHEMBL29600034 1.00 RAB9A (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL5646960 1.00 RAB9A (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL13479662 0.94 RAB9A (0.88) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL196640 0.87 PFKFB3 (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL29458617 0.87 PFKFB3 (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL979409 0.87 CYP1B1 (0.83) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL7368933 0.87 CYP1B1 (0.83) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL196639 0.87 PFKFB3 (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL1321942 0.86 RAB9A (0.76) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL6700090 0.86 RAB9A (0.76) RAB9AMAPTKMT2APFKFB3CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242144-B2 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
US-20110082176-A1 Stilbenes and Chalcones for the Prevention and Treatment of Cardiovascular Diseases RESVERLOGIX CORP. 2011-04-07 US disclosed
US-7846915-B2 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases Resverlogix Corporation (CA) 2010-12-07 US disclosed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-20060205792-A1 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 US disclosed
WO-2006081658-A1 IN SILICO SCREENING FOR SHBG BINDING LIGANDS VIA PHARMACOPHORE MODELS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2006-08-10 WO disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
WO-2006045010-A2 STILBENES AND CHALCONES FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 WO disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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 (4 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL RAB9A 2926/4885MAPT 4693/4885KMT2A 4150/4885
US-20060205792-A1 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases APOB, APOL1, HDLBP RAB9A 3696/4885MAPT 2177/4885KMT2A 3632/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL RAB9A 3386/4885MAPT 4668/4885KMT2A 4322/4885
US-20110082176-A1 Stilbenes and Chalcones for the Prevention and Treatment of Cardiovascular Diseases APOB, APOL1, HDLBP RAB9A 3696/4885MAPT 2177/4885KMT2A 3632/4885

“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.