SCHEMBL2599209

SCHEMBL2599209

N=C1C(=O)c2ccccc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 5/20 1.00
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
TDP2 O95551 4/20 0.63
PTPRC P08575 4/20 0.63
APAF1 O14727 3/20 0.63
PLA2G1B P04054 3/20 0.63
ATG4B Q9Y4P1 3/20 0.63
LMNA P02545 3/20 0.63
POLB P06746 3/20 0.63
RAB9A P51151 3/20 0.63
BLM P54132 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 3/20 0.63
KDM4E B2RXH2 2/20 0.63
NPC1 O15118 2/20 0.63
PLCG1 P19174 2/20 0.63
PPARG P37231 2/20 0.63
HTT P42858 2/20 0.63
GALK1 P51570 2/20 0.63

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
SCHEMBL1477146 0.86 S100A4 (0.75) S100A4MEN1KMT2ATDP2PTPRC
9,10-Phenanthrenequinone SCHEMBL31598775 0.78 MEN1 (1.00) S100A4MEN1KMT2ATDP2PTPRC
9,10-Phenanthrenequinone SCHEMBL43050 0.78 MEN1 (1.00) S100A4MEN1KMT2ATDP2PTPRC
SCHEMBL30479684 0.78 MEN1 (0.92) S100A4MEN1KMT2ATDP2PTPRC
SCHEMBL20203661 0.78 MEN1 (0.92) S100A4MEN1KMT2ATDP2PTPRC
SCHEMBL31884 0.78 MEN1 (0.92) S100A4MEN1KMT2ATDP2PTPRC
SCHEMBL3141116 0.78 S100A4 (0.63) S100A4MEN1KMT2ATDP2PTPRC
SCHEMBL933891 0.78 S100A4 (0.63) S100A4MEN1KMT2ATDP2PTPRC
9,10-Phenanthrenequinone SCHEMBL2157215 0.78 MEN1 (1.00) S100A4MEN1KMT2ATDP2PTPRC
SCHEMBL29378679 0.78 MEN1 (0.92) S100A4MEN1KMT2ATDP2PTPRC

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 8 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
US-3957810-A OPTICAL BLEACHES, FLUORESCENT DYE INTERMEDIATES TSIBIZOV JURY NIKOLAEVICH 1976-05-18 US disclosed
US-3957810-A OPTICAL BLEACHES, FLUORESCENT DYE INTERMEDIATES TSIBIZOV JURY NIKOLAEVICH 1976-05-18 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 1/4885MEN1 1065/4885KMT2A 3613/4885

“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.