SCHEMBL927309

SCHEMBL927309

CC(C)(OCc1nn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 9/20 0.70
CNR2 P34972 5/20 0.59
ACHE P22303 3/20 0.59
CNR1 P21554 2/20 0.59
MCTS1 Q9ULC4 7/20 0.48
SLC16A1 P53985 6/20 0.48
PLA2G2A P14555 1/20 0.45
ELANE P08246 2/20 0.42
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
KLKB1 P03952 1/20 0.42
CTRB1 P17538 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL926958 0.85 SLC16A3 (0.78) SLC16A3MCTS1SLC16A1
SCHEMBL928596 0.84 SLC16A3 (0.76) SLC16A3MCTS1SLC16A1
SCHEMBL928309 0.84 SLC16A3 (0.76) SLC16A3CNR2ACHECNR1MCTS1
Bindarit SCHEMBL29387325 0.83 SLC16A3 (1.00) SLC16A3CNR2ACHECNR1MCTS1
Bindarit SCHEMBL187885 0.83 SLC16A3 (1.00) SLC16A3CNR2ACHECNR1MCTS1
SCHEMBL929883 0.83 SLC16A3 (0.74) SLC16A3MCTS1SLC16A1
Bindarit SCHEMBL371677 0.82 SLC16A3 (0.98) SLC16A3CNR2ACHECNR1MCTS1
SCHEMBL928508 0.77 SLC16A3 (0.87) SLC16A3CNR2ACHECNR1MCTS1
SCHEMBL928717 0.77 SLC16A3 (0.87) SLC16A3MCTS1SLC16A1
SCHEMBL3318882 0.76 CNR2 (0.67) CNR2ACHECNR1PLA2G2AELANE

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 2368/4885CNR2 137/4885ACHE 2507/4885

“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.