SCHEMBL3223089

SCHEMBL3223089

O=C(Nc1nccs1)C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
MAPT P10636 1/20 0.75
PKM P14618 1/20 0.65
HTT P42858 1/20 0.65
HIF1A Q16665 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
NR3C1 P04150 1/20 0.52
ACP1 P24666 2/20 0.51
LMNA P02545 1/20 0.50
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AURKA O14965 1/20 0.50
PIM1 P11309 1/20 0.50
CDK2 P24941 1/20 0.50
GSK3B P49841 1/20 0.50

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
SCHEMBL17591077 0.86 MEN1 (0.71) MEN1KMT2AMAPTPKMHTT
SCHEMBL592704 0.81 MEN1 (0.65) MEN1KMT2AMAPTPKMHTT
SCHEMBL2656574 0.80 MEN1 (0.63) MEN1KMT2AMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL29366000 0.80 MEN1 (0.58) MEN1KMT2AMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL29744983 0.80 MEN1 (0.58) MEN1KMT2AMAPTPKMHTT
SCHEMBL5945899 0.79 MEN1 (0.57) MEN1KMT2AMAPTPKMHTT
SCHEMBL7375 0.76
SCHEMBL14420964 0.76 MEN1 (0.67) MEN1KMT2AMAPTPKMHTT
SCHEMBL28267268 0.75 MEN1 (0.57) MEN1KMT2AMAPTPKMHTT
SCHEMBL352731 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101652375-B Electroluminescent metal complex 巴斯夫欧洲公司 2016-08-24 CN disclosed
US-9362510-B2 Electroluminescent metal complexes with benzotriazoles BASF SE (DE) 2016-06-07 US disclosed
US-9362510-B2 Electroluminescent metal complexes with benzotriazoles BASF SE (DE) 2016-06-07 US disclosed
US-9284278-B2 Electroluminescent metal complex BASF SE (DE) 2016-03-15 US disclosed
US-9284278-B2 Electroluminescent metal complex BASF SE (DE) 2016-03-15 US disclosed
EP-2139907-B1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (DE) 2013-08-14 EP disclosed
EP-2112994-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES BASF SE (DE) 2011-01-26 EP disclosed
US-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-05-06 US disclosed
US-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-05-06 US disclosed
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX CIBA CORPORATION (US) 2010-02-25 US disclosed
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX CIBA CORPORATION (US) 2010-02-25 US disclosed
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX CIBA CORPORATION (US) 2010-02-25 US disclosed
EP-2139907-A1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (DE) 2010-01-06 EP disclosed
WO-2008101842-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES BASF SE (CH) 2008-08-28 WO disclosed
WO-2008098851-A1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (CH) 2008-08-21 WO disclosed
WO-2008098851-A1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (CH) 2008-08-21 WO disclosed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 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-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES OCIAD1, OCIAD2, OXA1L MEN1 3762/4885KMT2A 2638/4885MAPT 388/4885
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX LDHA, LDHB, NRP1 MEN1 1969/4885KMT2A 3577/4885MAPT 4595/4885

“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.