SCHEMBL4050755

SCHEMBL4050755

Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
BCAT2 O15382 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35
SCN5A Q14524 4/20 0.35
KCNH2 Q12809 2/20 0.35
SCN9A Q15858 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 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
SCHEMBL17562268 0.81 MEN1 (0.34) MEN1KMT2AL3MBTL1POLBNPC1
SCHEMBL753246 0.80 MEN1 (0.59) MEN1KMT2AL3MBTL1POLBBCAT2
SCHEMBL10134383 0.80 MEN1 (0.83) MEN1KMT2APOLBNPSR1BCAT2
SCHEMBL13745349 0.77 KMT2A (0.51) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL4797272 0.77 MEN1 (0.59) MEN1KMT2APOLBBCAT2MAPT
SCHEMBL4797268 0.77 MEN1 (0.59) MEN1KMT2AL3MBTL1NPSR1BCAT2
SCHEMBL851116 0.77 MEN1 (0.59) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL753331 0.76 BCAT2 (0.60) MEN1KMT2AL3MBTL1NPSR1BCAT2
SCHEMBL20176871 0.74 MEN1 (0.55) MEN1KMT2AL3MBTL1NPSR1BCAT2
SCHEMBL8736571 0.74 MEN1 (0.55) MEN1KMT2ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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 (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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 MEN1 3857/4885KMT2A 4655/4885L3MBTL1 3548/4885

“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.