SCHEMBL1650741

SCHEMBL1650741

CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(N)=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.83
CNR1 P21554 1/20 0.47
ACHE P22303 1/20 0.47
CNR2 P34972 1/20 0.47
MCTS1 Q9ULC4 4/20 0.45
SLC16A1 P53985 3/20 0.45
F2RL3 Q96RI0 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
SSTR4 P31391 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PDE5A O76074 2/20 0.42
PTGER4 P35408 1/20 0.42
KMT2A Q03164 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
SCHEMBL1650536 0.92 SLC16A3 (0.71) SLC16A3CNR1ACHECNR2MCTS1
Bindarit SCHEMBL187885 0.91 SLC16A3 (1.00) SLC16A3CNR1ACHECNR2MCTS1
Bindarit SCHEMBL29387325 0.91 SLC16A3 (1.00) SLC16A3CNR1ACHECNR2MCTS1
Bindarit SCHEMBL371677 0.89 SLC16A3 (0.98) SLC16A3CNR1ACHECNR2MCTS1
SCHEMBL15372292 0.89 SLC16A3 (0.84) SLC16A3CNR1ACHECNR2MCTS1
SCHEMBL1650902 0.89 SLC16A3 (0.76) SLC16A3CNR1ACHECNR2MCTS1
SCHEMBL1652018 0.88 SLC16A3 (0.66) SLC16A3MCTS1SLC16A1HDAC3HDAC1
SCHEMBL1651388 0.88 SLC16A3 (0.78) SLC16A3CNR1ACHECNR2MCTS1
SCHEMBL927459 0.87 SLC16A3 (0.81) SLC16A3CNR1ACHECNR2MCTS1
SCHEMBL1651327 0.86 SLC16A3 (0.79) SLC16A3CNR1ACHECNR2MCTS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190336482-A1 COMPOSITIONS AND METHODS FOR TREATING AND DIAGNOSING OCULAR DISORDERS TRANSLATUM MEDICUS INC (CA) 2019-11-07 US disclosed
US-20180221339-A1 COMPOSITIONS AND METHODS FOR TREATING AND DIAGNOSING OCULAR DISORDERS TRANSLATUM MEDICUS, INC. (CA) 2018-08-09 US disclosed
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 (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-20180221339-A1 COMPOSITIONS AND METHODS FOR TREATING AND DIAGNOSING OCULAR DISORDERS UACA, PDE6C, EYA3 SLC16A3 4100/4885CNR1 995/4885ACHE 396/4885
US-20190336482-A1 COMPOSITIONS AND METHODS FOR TREATING AND DIAGNOSING OCULAR DISORDERS UACA, PDE6C, EYA3 SLC16A3 4100/4885CNR1 995/4885ACHE 396/4885
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 SLC16A3 2368/4885CNR1 60/4885ACHE 2507/4885
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 SLC16A3 2368/4885CNR1 60/4885ACHE 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.