SCHEMBL2599398

SCHEMBL2599398

O=C1C(=O)c2cc(Cl)ccc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 5/20 1.00
▸ PTPRC P08575 8/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ APAF1 O14727 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ HTT P42858 3/20 0.59
▸ GALK1 P51570 3/20 0.59
▸ BLM P54132 3/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.59
▸ TDP2 O95551 2/20 0.59
▸ PLA2G1B P04054 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ PLCG1 P19174 2/20 0.59
▸ PPARG P37231 2/20 0.59
▸ ATG4B Q9Y4P1 2/20 0.59
▸ BCHE P06276 2/20 0.59

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
SCHEMBL301388 0.95 S100A4 (0.91) S100A4PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL1758264 0.95 S100A4 (0.91) S100A4PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL30419890 0.95 S100A4 (0.91) S100A4PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL38651099 0.95 S100A4 (0.91) S100A4PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL155593 0.93 S100A4 (0.87) S100A4PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL29378883 0.93 S100A4 (0.87) S100A4PTPRCNPC1RAB9ASMN1; SMN2
Anthraquinone SCHEMBL10531854 0.93 S100A4 (0.87) S100A4PTPRCNPC1RAB9ASMN1; SMN2
Methane SCHEMBL27539279 0.91 S100A4 (0.83) S100A4PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL8675120 0.91 S100A4 (0.83) S100A4PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL2599342 0.91 S100A4 (1.00) S100A4PTPRCNPC1RAB9ASMN1; SMN2

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 16 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-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
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
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
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-7745083-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2010-06-29 — — US disclosed
US-7745083-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2010-06-29 — — US disclosed
US-20090297218-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-12-03 — — US disclosed
US-20090297218-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-12-03 — — US disclosed
US-7592113-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2009-09-22 — — US disclosed
US-7592113-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2009-09-22 — — US disclosed
US-20080233499-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-09-25 — — US disclosed
US-20080233499-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-09-25 — — US disclosed
US-7396622-B2 Having a charge generation layer containing a phenanthrene compound, a phenanthroline compound or an acenaphthene compound that has two oxo-, phenylimino- or dicyanovinylene groups that may be the same or different; charge-generating material is preferably hydroxygallium phthalocyanine. CANON KABUSHIKI KAISHA (JP) 2008-07-08 — — 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 507/4885NPC1 4286/4885

“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.

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