SCHEMBL1013518

SCHEMBL1013518

Fc1cc(Br)c2ccn(-c3ccc(OCc4ccccc4)c(F)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.38
KDM1A O60341 3/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK1 Q13464 1/20 0.35
PTGER1 P34995 1/20 0.35
SLC6A4 P31645 1/20 0.34
CCR5 P51681 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MRGPRX4 Q96LA9 3/20 0.34
MAPK14 Q16539 1/20 0.34
USP28 Q96RU2 1/20 0.34
USP25 Q9UHP3 1/20 0.34

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
SCHEMBL1014177 0.88 ROCK1 (0.43) S1PR5KDM1ARAB9ASMN1; SMN2ROCK1
SCHEMBL1016697 0.87 S1PR5 (0.40) S1PR5KDM1AROCK1PTGER1MRGPRX4
SCHEMBL12532035 0.86 S1PR5 (0.35) S1PR5KDM1ARAB9ASMN1; SMN2ROCK1
SCHEMBL1727591 0.86 MAOB (0.36) S1PR5
SCHEMBL1014232 0.85 MCHR1 (0.45)
SCHEMBL1014598 0.81 ROCK1 (0.53) S1PR5KDM1AROCK1PTGER1MRGPRX4
SCHEMBL2009898 0.81 MAPK14 (0.43) S1PR5KDM1ARAB9ASMN1; SMN2PTGER1
SCHEMBL1728482 0.80 S1PR5 (0.39) S1PR5KDM1AROCK1PTGER1MRGPRX4
SCHEMBL1727695 0.79 S1PR5 (0.38) S1PR5KDM1ARAB9ASMN1; SMN2PTGER1
SCHEMBL23883437 0.79 ROCK1 (0.44) KDM1AROCK1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009617-A3 METHODS, STORAGE MEDIUMS, AND SYSTEMS FOR ANALYZING PARTICLE QUANTITY AND DISTRIBUTION WITHIN AN IMAGING REGION OF AN ASSAY ANALYSIS SYSTEM AND FOR EVALUATING THE PERFORMANCE OF A FOCUSING ROUTING PERFORMED ON AN ASSAY ANALYSIS SYSTEM LUMINEX CORPORATION (US) 2012-05-10 WO disclosed
EP-2271617-B1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LTD (GB) 2011-11-30 EP disclosed
US-7956083-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-06-07 US disclosed
EP-2271617-A1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
US-20100324106-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
WO-2009103710-A1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103710-A1 SUBSTITUTED 4-HYDROXY-N- (4-HYDROXYPHENYL) INDOLES AS ESTROGENIC AGENTS GLAXO GROUP LIMITED (GB) 2009-08-27 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-20100324106-A1 COMPOUNDS ESR2, GPER1, ESR1 S1PR5 893/4885KDM1A 2532/4885RAB9A 3068/4885

“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.