SCHEMBL1650683

SCHEMBL1650683

COc1ccc(Cn2nc(CON(O)C(C)=O)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.55
CNR1 P21554 1/20 0.55
SLC16A3 O15427 1/20 0.52
PTGER4 P35408 3/20 0.50
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
P2RX4 Q99571 1/20 0.44
CCKAR P32238 1/20 0.42
CCKBR P32239 1/20 0.42
CHRM1 P11229 1/20 0.42
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 1/20 0.41
BUB1 O43683 3/20 0.41
TSPO P30536 2/20 0.40

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
SCHEMBL1651647 0.89 SLC16A3 (0.55) CNR2CNR1SLC16A3PTGER4HDAC3
SCHEMBL1650425 0.81 SLC16A3 (0.57) CNR2CNR1SLC16A3PTGER4HDAC3
SCHEMBL1651049 0.81 CNR1 (0.57) CNR2CNR1SLC16A3PTGER4HDAC3
SCHEMBL927918 0.80 CNR1 (0.64) CNR2CNR1SLC16A3PTGER4HDAC3
SCHEMBL927983 0.79 SLC16A3 (0.83) CNR2CNR1SLC16A3PTGER4HDAC3
SCHEMBL1651002 0.78 SLC16A3 (0.66) CNR2CNR1SLC16A3PTGER4HDAC3
SCHEMBL1650682 0.78 CNR1 (0.54) CNR2CNR1SLC16A3PTGER4HDAC3
SCHEMBL1651677 0.76 SLC16A3 (0.59) CNR2CNR1SLC16A3PTGER4HDAC3
SCHEMBL28045003 0.75 CNR2 (0.68) CNR2CNR1SLC16A3PTGER4P2RX4
SCHEMBL2432735 0.75 PTGER4 (0.72) CNR2CNR1PTGER4P2RX4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310353-A1 COMPOSITIONS AND METHODS FOR TREATING AND DIAGNOSING OCULAR DISORDERS Translatum Medicus, Inc. (CA) 2018-04-25 EP disclosed
WO-2016203313-A1 COMPOSITIONS AND METHODS FOR TREATING AND DIAGNOSING OCULAR DISORDERS TRANSLATUM MEDICUS, INC. (CA) 2016-12-22 WO disclosed
EP-2254870-B1 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 ACRAF (IT) 2016-02-24 EP disclosed
US-8283348-B2 1-benzyl-3-hydroxymethylindazole derivatives and use thereof in the treatment of diseases based on the expression of MCP-1, CX3CR1 and p40 AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2012-10-09 US disclosed
US-20110160205-A1 NOVEL 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 AND P40 AZIENDE CHIM. RIUN. ANG. FRANC. A.C.R.A.F. S.P.A. (IT) 2011-06-30 US disclosed
US-7919518-B2 1-benzyl-3-hydroxymethylindazole derivatives and use thereof in the treatment of diseases based on the expression of MCP-1, CX3CR1 and p40 AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2011-04-05 US disclosed
US-20100311744-A1 NOVEL 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 AND P40 AZIENDE CHIM. RIUN. ANG. FRANC. A.C.R.A.F. S.P.A. (IT) 2010-12-09 US disclosed
EP-2254870-A2 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2010-12-01 EP disclosed
WO-2009109618-A2 NOVEL 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 AND P40 AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2009-09-11 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-20110160205-A1 NOVEL 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 AND P40 CX3CR1, CCR2, CCR5 CNR2 137/4885CNR1 60/4885SLC16A3 2368/4885
US-20100311744-A1 NOVEL 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 AND P40 CX3CR1, CCR2, CCR5 CNR2 137/4885CNR1 60/4885SLC16A3 2368/4885

“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.