SCHEMBL4048726

SCHEMBL4048726

CCCOc1ccc(-c2ccc(CN3Cc4nc(-c5cccc(F)c5F)[nH]c4C=N3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
ABCB1 P08183 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
TP53 P04637 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL4053011 0.88 BACE1 (0.33) MAPTRAB9ACA1CA2CA7
SCHEMBL3214807 0.87 BACE1 (0.35) HTR1AMAPTMEN1RAB9AKMT2A
SCHEMBL4057098 0.83 AMY1A (0.34) MEN1RAB9AKMT2A
SCHEMBL4060008 0.83 MAPT (0.35) MAPTRAB9ABACE1
SCHEMBL4050655 0.82 GRIN2B (0.33) HTR1AHTR1DHTR1B
SCHEMBL4057339 0.80 GRM5 (0.33) RAB9ATP53BACE1
SCHEMBL1221224 0.80 CYP1A2 (0.35) MAPTMEN1KMT2ABACE1
SCHEMBL3210944 0.79 HTR2A (0.33) RAB9ABACE1
SCHEMBL4049983 0.79 HRH4 (0.34) HRH2MAPTTP53
SCHEMBL1220627 0.79 CA12 (0.34) MAPTRAB9ACA9

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 4 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 claimed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 US claimed
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 PTGES 2231/4885HRH2 2845/4885HRH1 2354/4885

“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.