SCHEMBL44015

SCHEMBL44015

O=C1N=CCSc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.39
ADAMTS5 Q9UNA0 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CDC25B P30305 2/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 3/20 0.35
MAPK10 P53779 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 4/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
PTPRC P08575 2/20 0.34
BLM P54132 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
APAF1 O14727 2/20 0.34
CES2 O00748 1/20 0.34

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
SCHEMBL29854261 0.71 TRPA1 (0.41)
SCHEMBL8276 0.71 TRPA1 (0.41)
Hydrochloric Acid SCHEMBL10718555 0.69 TRPA1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL5139730 0.68 CDC25B (0.46) S100A4MEN1KMT2ACDC25BALDH1A1
SCHEMBL3540607 0.68 S100A4 (0.52) S100A4MEN1KMT2ACDC25BALDH1A1
SCHEMBL1354170 0.66 KDM4E (0.41) S100A4MEN1KMT2ACDC25BALDH1A1
SCHEMBL57213 0.65 CA12 (0.42) MEN1KMT2ACDC25BTDP2BCHE
SCHEMBL29824315 0.65 CA12 (0.42) MEN1KMT2ACDC25BTDP2BCHE
SCHEMBL29698819 0.64 HPGD (0.48) S100A4ADAMTS5MEN1KMT2ACDC25B
SCHEMBL69404 0.64 HPGD (0.48) S100A4ADAMTS5MEN1KMT2ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770520-B2 Chelate nanoemulsion for MRI GUERBET (FR) 2017-09-26 US disclosed
EP-2576536-B1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS UNIV QUEENSLAND (AU) 2016-09-14 EP disclosed
US-9199976-B2 Haematopoietic-prostaglandin D2 synthase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-20150320889-A1 Vectorised Magnetic Emulsion GUERBET (FR) 2015-11-12 US disclosed
US-20130309176-A1 CHELATE NANOEMULSION FOR MRI UNIVERSITE DE BORDEAUX 1 (FR) 2013-11-21 US disclosed
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-05-30 US disclosed
EP-2576536-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS The University of Queensland (AU) 2013-04-10 EP disclosed
WO-2011150457-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2011-12-08 WO disclosed
WO-2005113573-A2 METHOD OF SUPPORT-BASED CHEMICAL SYNTHESIS MIXTURE SCIENCES, INC. (US) 2005-12-01 WO disclosed
US-20050261474-A1 Method of support-based chemical synthesis MIXTURE SCIENCES, INC. 2005-11-24 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 (4 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-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS HPGDS, PTGES, PTGIS S100A4 2065/4885ADAMTS5 1743/4885MEN1 4596/4885
US-20130309176-A1 CHELATE NANOEMULSION FOR MRI SGMS1, SGMS2, PHOSPHO1 S100A4 441/4885ADAMTS5 4266/4885MEN1 609/4885
US-20150320889-A1 Vectorised Magnetic Emulsion SGMS2, TFRC, SGMS1 S100A4 1169/4885ADAMTS5 4558/4885MEN1 1290/4885
US-20050261474-A1 Method of support-based chemical synthesis CYP2F1, CYP4F3, CYP4F2 S100A4 1751/4885ADAMTS5 3656/4885MEN1 932/4885

“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.