SCHEMBL1650424

SCHEMBL1650424

O=C(COCCOCc1nn(Cc2ccccc2)c2ccccc12)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.56
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
CNR1 P21554 1/20 0.45
ACHE P22303 1/20 0.45
CNR2 P34972 1/20 0.45
SCN8A Q9UQD0 1/20 0.44
PTGER4 P35408 5/20 0.43
F2RL3 Q96RI0 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PDE5A O76074 2/20 0.40
NPC1 O15118 1/20 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
SCHEMBL1650984 0.90 SLC16A3 (0.55) SLC16A3HDAC6HDAC3HDAC1HDAC2
SCHEMBL929474 0.89 SLC16A3 (0.61) SLC16A3HDAC6HDAC3HDAC1HDAC2
SCHEMBL1652008 0.86 SLC16A3 (0.58) SLC16A3HDAC6HDAC3HDAC1HDAC2
SCHEMBL927728 0.84 SLC16A3 (0.58) SLC16A3HDAC6HDAC3HDAC1HDAC2
SCHEMBL1653152 0.84 SLC16A3 (0.58) SLC16A3HDAC6HDAC3HDAC1HDAC2
SCHEMBL1650682 0.84 CNR1 (0.54) SLC16A3HDAC6HDAC3HDAC1HDAC2
SCHEMBL1650999 0.83 SLC16A3 (0.64) SLC16A3HDAC6HDAC3HDAC1HDAC2
SCHEMBL1649978 0.82 SLC16A3 (0.66) SLC16A3HDAC6HDAC3HDAC1HDAC2
SCHEMBL1651003 0.81 SLC16A3 (0.64) SLC16A3HDAC6HDAC3HDAC1HDAC2
SCHEMBL17510202 0.81 SLC16A3 (0.59) SLC16A3HDAC6HDAC3HDAC1HDAC2

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 4100/4885HDAC6 740/4885HDAC3 2012/4885
US-20190336482-A1 COMPOSITIONS AND METHODS FOR TREATING AND DIAGNOSING OCULAR DISORDERS UACA, PDE6C, EYA3 SLC16A3 4100/4885HDAC6 740/4885HDAC3 2012/4885
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 2368/4885HDAC6 378/4885HDAC3 159/4885
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 2368/4885HDAC6 378/4885HDAC3 159/4885

“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.