SCHEMBL503341

SCHEMBL503341

Fc1cc(F)c(-c2ccc(Br)cn2)cc1-c1ccc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.43
FEN1 P39748 3/20 0.43
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM1A O60341 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP11B1 P15538 1/20 0.34
SPR P35270 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
GBA1 P04062 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL38614 0.83 FEN1 (0.47) ALOX5APFEN1NPC1GAANFKB1
SCHEMBL16502032 0.80 PTGS2 (0.40) KDM1ACYP11B1PTGS2
SCHEMBL2407760 0.78 NPC1 (0.53) ALOX5APFEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3713639 0.78 FEN1 (0.53) ALOX5APFEN1KDM1ACYP11B1
SCHEMBL387551 0.77 FEN1 (0.51) ALOX5APFEN1NPC1GAANFKB1
SCHEMBL17630035 0.77 EGLN2 (0.43) ALOX5APFEN1KDM1ACYP11B1
SCHEMBL27808852 0.77 NPC1 (0.37) ALOX5APFEN1NPC1GAANFKB1
SCHEMBL13985937 0.76 CCR1 (0.58) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2653973 0.76 GABRG2 (0.43) ALOX5APFEN1NPC1GAANFKB1
SCHEMBL2405729 0.76 NUDT1 (0.41) ALOX5APFEN1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-8293898-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-10-23 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-20120157681-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2012-06-21 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-8106193-B2 Luminophores UNIVERSITY OF YORK (GB) 2012-01-31 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
US-20100317851-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2010-12-16 US disclosed
EP-2207784-A1 LUMINOPHORES University of York (GB) 2010-07-21 EP disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 WO disclosed
WO-2009040551-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2009-04-02 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-20120157681-A1 LUMINOPHORES PPOX, CRY1, MPO ALOX5AP 1669/4885FEN1 450/4885NPC1 3850/4885
US-20100317851-A1 LUMINOPHORES PPOX, CRY1, MPO ALOX5AP 1531/4885FEN1 619/4885NPC1 4284/4885

“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.