SCHEMBL2599396

SCHEMBL2599396

O=C1C(=O)c2cccc([N+](=O)[O-])c2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 1.00
S100A4 P26447 3/20 1.00
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
CASP6 P55212 1/20 0.57
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
MCL1 Q07820 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
STAT6 P42226 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL2077926 0.96 S100A4 (0.93) PTPRCS100A4MAPTPOLBAPEX1
SCHEMBL2599501 0.90 S100A4 (1.00) PTPRCS100A4MAPTPOLBAPEX1
Anthraquinone SCHEMBL27518707 0.89 S100A4 (0.79) PTPRCS100A4MAPTPOLBAPEX1
SCHEMBL6364877 0.89 S100A4 (0.79) PTPRCS100A4MAPTPOLBAPEX1
SCHEMBL156735 0.89 S100A4 (0.79) PTPRCS100A4MAPTPOLBAPEX1
SCHEMBL32670296 0.89 S100A4 (0.79) PTPRCS100A4MAPTPOLBAPEX1
Anthraquinone SCHEMBL27736010 0.89 S100A4 (0.79) PTPRCS100A4MAPTPOLBAPEX1
Water SCHEMBL11135902 0.87 S100A4 (0.77) PTPRCS100A4MAPTPOLBAPEX1
Ammonia Solution, Strong SCHEMBL27539963 0.87 S100A4 (0.77) PTPRCS100A4MAPTPOLBAPEX1
SCHEMBL27694074 0.87 S100A4 (0.77) PTPRCS100A4MAPTPOLBAPEX1

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 19 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-20030207812-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-11-06 US claimed
JP-2003518085-A 2003-06-03 JP claimed
EP-1242363-A2 CD45 INHIBITORS AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2001046125-A2 CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO claimed
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
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
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
EP-1242363-B1 CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-11-02 EP disclosed
US-20030207812-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-11-06 US disclosed
EP-1242363-A2 CD45 INHIBITORS AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2002045702-A2 TRICYCLIC THERAPEUTICS FOR CHEMOKINE MEDIATED DISEASES CHEMOKINE THERAPEUTICS CORPORATION (CA) 2002-06-13 WO disclosed
WO-2001046125-A2 CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
US-4036838-A Process for the production of nitro derivatives of aromatic compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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 (2 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-20030207812-A1 Cd45 inhibitors CD74, CD2, PTPRC PTPRC 3/4885S100A4 2288/4885MAPT 4473/4885
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS S100A4, S100A6, S100A10 PTPRC 507/4885S100A4 1/4885MAPT 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.