SCHEMBL928508

SCHEMBL928508

Cc1ccc(Cn2nc(COC(C)(C)C(=O)O)c3ccccc32)cc1

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 14/20 0.87
MCTS1 Q9ULC4 10/20 0.48
SLC16A1 P53985 9/20 0.48
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
PPARA Q07869 2/20 0.45
F2RL3 Q96RI0 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.43
ACHE P22303 1/20 0.43
CNR2 P34972 1/20 0.43

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
Bindarit SCHEMBL187885 0.93 SLC16A3 (1.00) SLC16A3MCTS1SLC16A1HDAC3HDAC1
Bindarit SCHEMBL29387325 0.93 SLC16A3 (1.00) SLC16A3MCTS1SLC16A1HDAC3HDAC1
Bindarit SCHEMBL371677 0.92 SLC16A3 (0.98) SLC16A3MCTS1SLC16A1HDAC3HDAC1
SCHEMBL928717 0.91 SLC16A3 (0.87) SLC16A3MCTS1SLC16A1HDAC3HDAC1
SCHEMBL927983 0.89 SLC16A3 (0.83) SLC16A3MCTS1SLC16A1HDAC3HDAC1
SCHEMBL927411 0.87 SLC16A3 (0.80) SLC16A3MCTS1SLC16A1
SCHEMBL15372292 0.85 SLC16A3 (0.84) SLC16A3MCTS1SLC16A1HDAC3HDAC1
SCHEMBL1650741 0.84 SLC16A3 (0.83) SLC16A3MCTS1SLC16A1HDAC3HDAC1
SCHEMBL927364 0.83 SLC16A3 (0.81) SLC16A3MCTS1SLC16A1HDAC3HDAC1
SCHEMBL22832593 0.83 SLC16A3 (0.78) SLC16A3MCTS1SLC16A1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181551-A1 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF CX3CR1 AND P40 Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-06-21 EP disclosed
EP-2254869-B1 NEUE 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF CX3CR1 UND P40 ACRAF (IT) 2017-05-31 EP disclosed
US-8835481-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) 2014-09-16 US disclosed
US-20110003874-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) 2011-01-06 US disclosed
EP-2254869-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-2009109613-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 (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-20110003874-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 SLC16A3 2368/4885MCTS1 3483/4885SLC16A1 1229/4885

“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.