SCHEMBL457585

SCHEMBL457585

NNC(=S)Nc1cccc(OCl)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.63
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL23220318 0.83 IDO1 (0.68) IDO1MAPTMEN1KMT2AL3MBTL1
Alcohol SCHEMBL28252000 0.80 KMT2A (0.62) IDO1MAPTMEN1KMT2AL3MBTL1
SCHEMBL457063 0.79 MAPT (0.63) IDO1MAPTMEN1KMT2AKDM4E
SCHEMBL5437433 0.77 IDO1 (1.00) IDO1MAPTMEN1KMT2AKDM4E
SCHEMBL29488189 0.74 CYP1A2 (0.68) IDO1MAPTMEN1KMT2AALDH1A1
SCHEMBL6153945 0.74 IDO1 (1.00) IDO1MAPTMEN1KMT2AKDM4E
SCHEMBL9319543 0.74 IDO1 (1.00) IDO1MAPTMEN1KMT2AKDM4E
SCHEMBL27860201 0.74 CYP1A2 (0.68) IDO1MAPTMEN1KMT2AALDH1A1
SCHEMBL455167 0.72 ALDH1A1 (0.73) IDO1MAPTMEN1KMT2AKDM4E
SCHEMBL3822948 0.72 MAPT (0.81) IDO1MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240175-B1 COMPOUNDS WITH MDR1-INVERSE ACTIVITY US GOV HEALTH & HUMAN SERV (US) 2013-01-02 EP 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-20100316655-A1 COMPOUNDS WITH MDR1-INVERSE ACTIVITY INSTITUTE OF ENZYMOLOGY, BIOLOGICAL RESEARCH CENTER, HUNGARIAN ACADEMY OF SCIENCES (HU) 2010-12-16 US disclosed
EP-2240175-A2 COMPOUNDS WITH MDR1-INVERSE ACTIVITY The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2010-10-20 EP disclosed
WO-2009102433-A2 COMPOUNDS WITH MDR1-INVERSE ACTIVITY THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-08-20 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 (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-20100316655-A1 COMPOUNDS WITH MDR1-INVERSE ACTIVITY ABCC1, ABCB1, ABCC2 IDO1 4305/4885MAPT 4584/4885MEN1 4173/4885

“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.