SCHEMBL4929690

SCHEMBL4929690

COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
TBXA2R P21731 2/20 0.53
KMT2A Q03164 8/20 0.52
MAPT P10636 7/20 0.52
MEN1 O00255 7/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
PKM P14618 2/20 0.52
MITF O75030 1/20 0.52
CCR6 P51684 1/20 0.52
NPC1 O15118 1/20 0.52
HSP90AA1 P07900 1/20 0.52
PAX8 Q06710 1/20 0.52
GAA P10253 3/20 0.51
MAPK1 P28482 1/20 0.51
CRHBP P24387 1/20 0.50

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
SCHEMBL6590677 0.88 CTSV (0.67) CTSVCTSLTBXA2RKMT2AMAPT
SCHEMBL6154929 0.86 CTSV (0.55) CTSVCTSLTBXA2RKMT2AMAPT
SCHEMBL6587408 0.86 CTSV (0.58) CTSVCTSLTBXA2RKMT2AMAPT
SCHEMBL1021641 0.86 CTSV (0.55) CTSVCTSLTBXA2RKMT2AMAPT
SCHEMBL3462833 0.86 TDP1 (0.61) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL5315876 0.79 MAPT (0.73) TBXA2RKMT2AMAPTMEN1ALDH1A1
SCHEMBL4231911 0.79 ALDH1A1 (0.54) CTSVCTSLTBXA2RKMT2AMAPT
SCHEMBL16430292 0.78 MAPT (0.51) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL27811897 0.78 GAA (0.54) CTSVCTSLKMT2AMAPTMEN1
SCHEMBL4255958 0.78 MAPT (0.66) CTSVCTSLTBXA2RKMT2AMAPT

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
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1482929-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE Aventis Pharma Deutschland GmbH (DE) 2004-12-08 EP disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003072098-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-04 WO disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (3 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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 CTSV 3520/4885CTSL 3104/4885TBXA2R 1396/4885
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP CTSV 4734/4885CTSL 4452/4885TBXA2R 3729/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CTSV 3976/4885CTSL 3407/4885TBXA2R 247/4885

“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.