SCHEMBL1477853

SCHEMBL1477853

O=C(O)C1[C@H]2Cc3cc(Br)ccc3[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.55
EDNRB P24530 4/20 0.54
EDNRA P25101 4/20 0.54
CAMK2A Q9UQM7 1/20 0.40
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
PLA2G1B P04054 1/20 0.35
GAPDH P04406 1/20 0.35
POLB P06746 1/20 0.35
HSPA1A P0DMV8 1/20 0.35
MIF P14174 1/20 0.35
PTPN7 P35236 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
KDM1B Q8NB78 1/20 0.35

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
SCHEMBL1477851 1.00 KDM1A (0.55) KDM1AEDNRBEDNRACAMK2ASRD5A1
SCHEMBL12749435 1.00 KDM1A (0.55) KDM1AEDNRBEDNRACAMK2ASRD5A1
SCHEMBL1477468 1.00 KDM1A (0.55) KDM1AEDNRBEDNRACAMK2ASRD5A1
SCHEMBL29134899 0.87 EDNRB (0.50) KDM1AEDNRBEDNRACAMK2ASRD5A1
SCHEMBL3073942 0.82 EDNRB (0.41) KDM1AEDNRBEDNRAKDM1BFFAR1
SCHEMBL17276195 0.82 EDNRB (0.41) KDM1AEDNRBEDNRAKDM1BFFAR1
SCHEMBL1478108 0.79 KDM1A (0.47) KDM1AEDNRBEDNRAMEN1POLB
SCHEMBL12749434 0.79 KDM1A (0.47) KDM1AEDNRBEDNRAMEN1POLB
SCHEMBL1478110 0.79 KDM1A (0.47) KDM1AEDNRBEDNRAMEN1POLB
SCHEMBL18940272 0.78 FFAR1 (0.46) KDM1AEDNRBEDNRAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915295-B2 Viricides; HIV antivirals effective against problematic drug escape mutants; N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-[5-(4-(sulfonamido)phenoxy)-2-pyridinyl]urea MEDIVIR AB (SE) 2011-03-29 US disclosed
EP-1701942-B1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2009-12-09 EP disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 US disclosed
EP-1701942-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2006-09-20 EP disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
WO-2005066131-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 WO disclosed
EP-1423368-A1 UREA AND THIOUREA DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-06-02 EP disclosed
US-6610714-B2 HIV viricides MEDIVIR AB (SE) 2003-08-26 US disclosed
US-20030092743-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2003-05-15 US disclosed
WO-2003020705-A1 UREA AND THIOUREA DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2003-03-13 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 (3 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-20030092743-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SUB1, HCFC1, CCR1 KDM1A 268/4885EDNRB 3392/4885EDNRA 3246/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E KDM1A 2082/4885EDNRB 2287/4885EDNRA 2441/4885
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A KDM1A 1736/4885EDNRB 1557/4885EDNRA 1128/4885

“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.