SCHEMBL1610816

SCHEMBL1610816

Nc1cc(OC(F)(F)F)cc(Br)c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
SLC6A2 P23975 1/20 0.33
SCN4A P35499 1/20 0.33

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
SCHEMBL968221 0.90 GAA (0.44) GAAMAPTPOLBALDH1A1THRB
SCHEMBL21486892 0.81 GAA (0.35) GAAMAPTPOLBALDH1A1THRB
SCHEMBL29778859 0.81 CA1 (0.42) GAAMAPTPOLBALDH1A1THRB
SCHEMBL19643366 0.81 CA1 (0.42) GAAMAPTPOLBALDH1A1THRB
SCHEMBL14676282 0.81 CA1 (0.42) GAAMAPTPOLBALDH1A1THRB
SCHEMBL21603490 0.81 PTGS1 (0.34) GAAMAPTPOLBALDH1A1THRB
SCHEMBL23796403 0.77 ALDH1A1 (0.33) GAAPOLBALDH1A1THRBFFAR4
SCHEMBL24058054 0.77 POLB (0.33) GAAPOLBALDH1A1THRBL3MBTL1
SCHEMBL23796052 0.77 GAA (0.36) GAAPOLBALDH1A1THRBNPC1
SCHEMBL30443190 0.77 POLB (0.33) GAAPOLBALDH1A1THRBL3MBTL1

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
EP-2627652-B1 PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF DAE WOONG PHARMA (KR) 2015-12-16 EP disclosed
CN-103153990-B Novel pyridyl benzoxazine derivatives, pharmaceutical composition comprising the same, and use thereof DAE WOONG PHARMA 2015-06-17 CN disclosed
CN-101983197-B A novel benzoxazine benzimidazole derivative, a pharmaceutical composition comprising the same, and a use thereof DAE WOONG PHARMA 2015-04-22 CN disclosed
EP-2264031-B1 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAE WOONG PHARMA (KR) 2015-04-15 EP disclosed
EP-2627652-A2 NOVEL PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF Daewoong Pharmaceutical Co., Ltd (KR) 2013-08-21 EP disclosed
US-8362012-B2 Benzoxazine benzimidazole derivative, a pharmaceutical composition comprising the same, and a use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-01-29 US disclosed
WO-2012050380-A2 NOVEL PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2012-04-19 WO disclosed
US-8026235-B1 Pyridyl benzoxazine derivatives, pharmaceutical composition comprising the same, and use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-09-27 US disclosed
WO-2011097491-A1 BENZIMIDAZOLE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-08-11 WO disclosed
US-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF DAEWOONG PHARMACEUTICALS CO., LTD. (KR) 2011-04-14 US disclosed
EP-2264031-A2 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-12-22 EP 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-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF TRPV1, HRH4, TRPV4 GAA 1928/4885MAPT 4710/4885POLB 4804/4885

“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.