SCHEMBL2599501

SCHEMBL2599501

O=C1C(=O)c2cccc([N+](=O)[O-])c2-c2c1cccc2[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 1.00
PTPRC P08575 1/20 0.81
MAPT P10636 2/20 0.61
RECQL P46063 1/20 0.61
KMT2A Q03164 1/20 0.61
MCL1 Q07820 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CSNK2A2 P19784 1/20 0.57
CSNK2B P67870 1/20 0.57
CSNK2A1 P68400 1/20 0.57
CSNK2A3 Q8NEV1 1/20 0.57
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
CASP6 P55212 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 2/20 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
SCHEMBL28651375 0.96 S100A4 (0.92) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL2347136 0.91 S100A4 (0.84) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL2599396 0.90 PTPRC (1.00) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL1303600 0.89 S100A4 (0.81) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL11317413 0.88 S100A4 (0.78) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9257330 0.87 S100A4 (0.77) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL11210972 0.86 S100A4 (0.75) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL32670296 0.86 S100A4 (0.79) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL6364877 0.86 S100A4 (0.79) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL156735 0.86 S100A4 (0.79) S100A4PTPRCMAPTRECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US claimed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO claimed
US-8632931-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2014-01-21 US disclosed
US-8632931-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2014-01-21 US disclosed
US-8524429-B2 2013-09-03 US disclosed
US-8524429-B2 2013-09-03 US disclosed
US-8507162-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2013-08-13 US disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
EP-2447781-B1 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KK (JP) 2013-01-16 EP disclosed
CN-102466990-A Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KK 2012-05-23 CN disclosed
US-20120107735-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2012-05-03 US disclosed
EP-2447781-A1 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus Canon Kabushiki Kaisha (JP) 2012-05-02 EP disclosed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO disclosed
US-20110143273-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2011-06-16 US disclosed
US-20100180937-A1 HOLOGRAPHIC ENERGY-COLLECTING MEDIUM AND ASSOCIATED DEVICE GENERAL ELECTRIC COMPANY (US) 2010-07-22 US disclosed
US-6846956-B2 Triarylmethane dyes BASF AKTIENGESELLSCHAFT (DE) 2005-01-25 US disclosed
US-20030181740-A1 Triarylmethane dyes BASF AKTIENGESELLSCHAFT (DE) 2003-09-25 US disclosed
US-4340540-A NITROGEN OXIDES OXIDATION CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
US-4330476-A CONDENSATION OF AROMATIC ALDEHYDE WITH AROMATIC AMINE FOLLOWED BY OXIDATION BAYER AKTIENGESELLSCHAFT (DE) 1982-05-18 US disclosed
US-4318859-A CONTAINING CARBONIUM GROUPS BY CATALYTIC OXIDATION BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US 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-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS S100A4, S100A6, S100A10 S100A4 1/4885PTPRC 507/4885MAPT 2299/4885

“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.