SCHEMBL1867916

SCHEMBL1867916

O=C(NNC(=O)c1cc(Br)c(Br)s1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 4/20 0.52
RXFP1 Q9HBX9 2/20 0.51
OPRK1 P41145 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
GRIK1 P39086 2/20 0.48
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL1867517 0.81 KDR (0.60) KMT2AMEN1CA1CA2CA9
SCHEMBL1344731 0.80 MAPT (0.56) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL1346899 0.80 RXFP1 (0.74) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL1344924 0.79 MAPT (0.55) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL5597699 0.75 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL30101230 0.75 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL17813750 0.74 TMPRSS4 (0.62) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL4548162 0.73 KMT2A (0.87) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL13202371 0.73 MAPT (0.59) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL2181523 0.72 KMT2A (0.77) MAPTKMT2AMEN1HTTRAB9A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20110105597-A1 Modulation of pathogenicity QUONOVA, LLC 2011-05-05 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20100280036-A1 Modulation of Pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20090076012-A1 Modulation of pathogenicity QUONOVA, LLC 2009-03-19 US disclosed
US-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 US disclosed
US-20080214635-A1 Modulation of pathogenicity QUONOVA, LLC 2008-09-04 US disclosed
US-20080188536-A1 Modulation of pathogenicity QUONOVA, LLC 2008-08-07 US disclosed
US-20080182878-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-31 US disclosed
US-20080182878-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-31 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-20080176938-A1 Modulation of pathogenicity QUONOVA, LLC 2008-07-24 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
US-7335779-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-02-26 US disclosed
US-20040063765-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-04-01 US 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 (8 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-20090076012-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 MAPT 4855/4885KMT2A 3562/4885MEN1 2784/4885
US-20110105597-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 MAPT 4855/4885KMT2A 3588/4885MEN1 2784/4885
US-20080214635-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 MAPT 4855/4885KMT2A 3588/4885MEN1 2784/4885
US-20100280036-A1 Modulation of Pathogenicity NR4A1, NR4A2, NR4A3 MAPT 4855/4885KMT2A 3588/4885MEN1 2784/4885
US-20080182878-A1 Modulation of pathogenicity NR4A1, NR4A2, MSR1 MAPT 4856/4885KMT2A 3589/4885MEN1 2774/4885
US-20080188536-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 MAPT 4855/4885KMT2A 3588/4885MEN1 2784/4885
US-20080176938-A1 Modulation of pathogenicity NR4A1, NR4A2, NR4A3 MAPT 4857/4885KMT2A 3597/4885MEN1 2609/4885
US-20040063765-A1 Modulation of pathogenicity NR1H4, NR4A1, MSR1 MAPT 4848/4885KMT2A 3617/4885MEN1 3523/4885

“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.