SCHEMBL1651049

SCHEMBL1651049

COc1ccc(Cn2nc(COCC(=O)O)c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.57
CNR2 P34972 2/20 0.57
SLC16A3 O15427 1/20 0.56
PTGER4 P35408 4/20 0.54
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CHRM1 P11229 1/20 0.46
P2RX4 Q99571 1/20 0.45
CCKAR P32238 1/20 0.43
CCKBR P32239 1/20 0.43
ACHE P22303 1/20 0.43
BUB1 O43683 2/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
TBXA2R P21731 1/20 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
SCHEMBL1650682 0.88 CNR1 (0.54) CNR1CNR2SLC16A3PTGER4HDAC3
SCHEMBL1652872 0.88 SLC16A3 (0.59) CNR1CNR2SLC16A3PTGER4HDAC3
SCHEMBL25307566 0.88 KMT2A (0.54) CNR1CNR2AURKAAURKB
SCHEMBL928778 0.86 SLC16A3 (0.56) CNR1CNR2SLC16A3PTGER4HDAC3
SCHEMBL1651003 0.84 SLC16A3 (0.64) CNR1CNR2SLC16A3PTGER4HDAC3
SCHEMBL929474 0.84 SLC16A3 (0.61) CNR1CNR2SLC16A3PTGER4HDAC3
SCHEMBL927983 0.83 SLC16A3 (0.83) CNR1CNR2SLC16A3PTGER4HDAC3
SCHEMBL927918 0.82 CNR1 (0.64) CNR1CNR2SLC16A3PTGER4HDAC3
SCHEMBL927728 0.82 SLC16A3 (0.58) CNR1CNR2SLC16A3PTGER4HDAC3
SCHEMBL1650683 0.81 CNR2 (0.55) CNR1CNR2SLC16A3PTGER4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR1 60/4885CNR2 137/4885SLC16A3 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 CNR1 60/4885CNR2 137/4885SLC16A3 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.