SCHEMBL455344

SCHEMBL455344

NNC(=S)Nc1ccc(NC(=S)NN)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.78
MAPT P10636 7/20 0.78
KDM4E B2RXH2 5/20 0.78
GAA P10253 3/20 0.58
ALDH1A1 P00352 3/20 0.56
THRB P10828 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP3A4 P08684 1/20 0.52
TAS2R38 P59533 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL455323 0.91 GAA (0.74) IDO1MAPTKDM4EGAAALDH1A1
SCHEMBL1642748 0.91 IDO1 (0.67) IDO1MAPTKDM4EGAAALDH1A1
SCHEMBL455272 0.89 IDO1 (0.64) IDO1MAPTKDM4EGAAALDH1A1
SCHEMBL455548 0.89 IDO1 (1.00) IDO1MAPTKDM4EGAAMEN1
SCHEMBL5435931 0.89 IDO1 (1.00) IDO1MAPTKDM4EGAAALDH1A1
SCHEMBL3860141 0.89 KDM4E (1.00) IDO1MAPTKDM4EGAAALDH1A1
SCHEMBL9036606 0.89 IDO1 (1.00) IDO1MAPTKDM4EALDH1A1MEN1
SCHEMBL455167 0.87 ALDH1A1 (0.73) IDO1MAPTKDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL9004637 0.87 IDO1 (0.96) IDO1MAPTKDM4EALDH1A1MEN1
SCHEMBL28525082 0.85 ALDH1A1 (0.70) IDO1MAPTKDM4EGAAALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669505-B Preparation method and application of red fluorescence enhanced probe for detecting mercury ions 福建师范大学 2022-07-12 CN disclosed
CN-110669505-A Preparation method and application of red fluorescence enhanced probe for detecting mercury ions 福建师范大学 2020-01-10 CN disclosed
US-8475765-B2 Hydroxyalkyl starch derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2013-07-02 US disclosed
EP-2143736-B1 Hydroxyalkyl starch derivatives FRESENIUS KABI DE GMBH (DE) 2012-11-07 EP disclosed
US-8299285-B2 Compounds for imaging and therapy ISIS INNOVATION LIMITED (GB) 2012-10-30 US disclosed
US-8299285-B2 Compounds for imaging and therapy ISIS INNOVATION LIMITED (GB) 2012-10-30 US disclosed
WO-2012033601-A1 THIOSEMICARBAZONES WITH MDR1 - INVERSE ACTIVITY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2012-03-15 WO disclosed
US-20120046240-A9 Method of Producing Hydroxyalkyl Starch Derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2012-02-23 US disclosed
US-20120046240-A9 Method of Producing Hydroxyalkyl Starch Derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2012-02-23 US disclosed
EP-2316850-A2 HASylated polypeptides, especially HASylated erythropoietin Fresenius Kabi Deutschland GmbH (DE) 2011-05-04 EP disclosed
EP-2272865-A2 Method of producing hydroxyalkyl starch derivatives Fresenius Kabi Deutschland GmbH (DE) 2011-01-12 EP disclosed
US-20100317609-A1 Method of Producing Hydroxyalkyl Starch Derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2010-12-16 US disclosed
US-20100317609-A1 Method of Producing Hydroxyalkyl Starch Derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2010-12-16 US disclosed
US-7815893-B2 Hydroxyalkyl starch derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2010-10-19 US disclosed
US-7815893-B2 Hydroxyalkyl starch derivatives FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2010-10-19 US disclosed
EP-2154160-A1 Hydroxyalkyl starch derivatives Fresenius Kabi Deutschland GmbH (DE) 2010-02-17 EP disclosed
EP-2143736-A1 Hydroxyalkyl starch derivatives Fresenius Kabi Deutschland GmbH (DE) 2010-01-13 EP disclosed
EP-2017287-A2 Method of producing hydroxyalkyl starch derivatives Fresenius Kabi Deutschland GmbH (DE) 2009-01-21 EP disclosed
EP-1398327-B1 Method of producing hydroxyalkyl starch derivatives FRESENIUS KABI DE GMBH (DE) 2008-08-27 EP disclosed
WO-2007003944-A2 COMPOUNDS FOR IMAGING AND THERAPY ISIS INNOVATION LIMITED (GB) 2007-01-11 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 (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-20120046240-A9 Method of Producing Hydroxyalkyl Starch Derivatives HACL2, HAAO, LIPA IDO1 1632/4885MAPT 4440/4885KDM4E 3187/4885
US-20100317609-A1 Method of Producing Hydroxyalkyl Starch Derivatives HACL2, HAAO, LIPA IDO1 1632/4885MAPT 4440/4885KDM4E 3187/4885

“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.