SCHEMBL254012

SCHEMBL254012

Oc1ccc(/C=N/n2c(-c3ccco3)cs/c2=N\c2ccc(F)cc2F)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.66
MEN1 O00255 10/20 0.66
KMT2A Q03164 10/20 0.66
HTT P42858 7/20 0.66
TDP1 Q9NUW8 4/20 0.66
KDM4E B2RXH2 8/20 0.49
GAA P10253 8/20 0.49
RAB9A P51151 6/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
MCL1 Q07820 3/20 0.49
SMN1; SMN2 Q16637 10/20 0.48
POLB P06746 7/20 0.48
ALDH1A1 P00352 7/20 0.48
NPC1 O15118 6/20 0.48
HPGD P15428 4/20 0.48
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
RECQL P46063 4/20 0.47
MPI P34949 3/20 0.47
BLM P54132 2/20 0.47

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
SCHEMBL15242456 0.91 MAPT (0.55) MAPTMEN1KMT2AHTTTDP1
SCHEMBL1132108 0.59 GAA (0.52) MAPTMEN1KMT2AHTTTDP1
SCHEMBL1132110 0.59 GAA (0.52) MAPTMEN1KMT2AHTTTDP1
SCHEMBL12700773 0.56 CASP6 (0.53) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL30714872 0.55 MAPT (0.69) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL6068094 0.55 ALOX5 (0.47) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL1132158 0.55 MAPT (0.63) MAPTMEN1KMT2AHTTTDP1
SCHEMBL1132128 0.55 MAPT (0.63) MAPTMEN1KMT2AHTTTDP1
SCHEMBL10049961 0.54 SMN1; SMN2 (0.65) MAPTMEN1KMT2AHTTTDP1
SCHEMBL28202407 0.54 PIK3R1 (0.56) MAPTMEN1KMT2ATDP1KDM4E

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
US-9676763-B2 Method of treating Ebola PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-13 US disclosed
US-20160024066-A1 Small Molecule Inhibitors of Ebola and Lassa Fever Viruses and Methods of Use THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2016-01-28 US disclosed
US-9193705-B2 Small molecule inhibitors of ebola and lassa fever viruses and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-24 US disclosed
US-20130231332-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-05 US disclosed
WO-2012031090-A2 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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-20160024066-A1 Small Molecule Inhibitors of Ebola and Lassa Fever Viruses and Methods of Use LASP1, LAS1L, HSP90B1 MAPT 1825/4885MEN1 3233/4885KMT2A 4278/4885
US-20130231332-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE LASP1, LAS1L, HSP90B1 MAPT 1825/4885MEN1 3233/4885KMT2A 4278/4885

“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.