SCHEMBL44014

SCHEMBL44014

O=C1NC=CSc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
GSK3B P49841 1/20 0.38
HPGD P15428 3/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 3/20 0.36
MAPK10 P53779 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TYMS P04818 1/20 0.34
MAPK1 P28482 2/20 0.33
CASP3 P42574 1/20 0.33
CASP2 P42575 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 3/20 0.32

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
SCHEMBL226035 0.70 GAA (0.41) L3MBTL1POLBMAPTTDP1ALDH1A1
Hydrochloric Acid SCHEMBL10718549 0.68 MEN1 (0.39) L3MBTL1POLBMAPTTDP1ALDH1A1
SCHEMBL29412517 0.67 KDM4E (0.44) L3MBTL1GSK3BHPGDPOLBMAPT
SCHEMBL14156857 0.66
SCHEMBL14259805 0.66 L3MBTL1 (0.48) L3MBTL1GSK3BHPGDPOLBMAPT
SCHEMBL168935 0.66 PDGFRA (0.52) L3MBTL1GSK3BHPGDPOLBALDH1A1
SCHEMBL9635218 0.65 L3MBTL1 (0.49) L3MBTL1GSK3BHPGDPOLBMAPT
SCHEMBL9636637 0.65 L3MBTL1 (0.49) L3MBTL1GSK3BHPGDPOLBMAPT
SCHEMBL5139731 0.64 KDM4E (0.43) L3MBTL1HPGDPOLBMAPTTDP1
SCHEMBL5850195 0.63 RYR2 (0.55) L3MBTL1GSK3BHPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005082873-A2 1,4-BENZOTHIAZEPANS AND DERIVATIVES THEREOF BIOAGENCY AG (DE) 2005-09-09 WO claimed
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
WO-2005082873-A2 1,4-BENZOTHIAZEPANS AND DERIVATIVES THEREOF BIOAGENCY AG (DE) 2005-09-09 WO 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 L3MBTL1 3610/4885GSK3B 3275/4885HPGD 9/4885
US-20130309176-A1 CHELATE NANOEMULSION FOR MRI SGMS1, SGMS2, PHOSPHO1 L3MBTL1 736/4885GSK3B 4751/4885HPGD 3269/4885
US-20150320889-A1 Vectorised Magnetic Emulsion SGMS2, TFRC, SGMS1 L3MBTL1 2628/4885GSK3B 4393/4885HPGD 3953/4885
US-20050261474-A1 Method of support-based chemical synthesis CYP2F1, CYP4F3, CYP4F2 L3MBTL1 3801/4885GSK3B 2272/4885HPGD 498/4885

“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.