SCHEMBL4053707

SCHEMBL4053707

COc1cccc(C(F)(F)F)c1.OBO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
TDP1 Q9NUW8 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL29782607 0.92 L3MBTL1 (0.58) MAPTL3MBTL1NPSR1KDM4EMEN1
SCHEMBL167016 0.92 L3MBTL1 (0.58) MAPTL3MBTL1NPSR1KDM4EMEN1
SCHEMBL27295380 0.90 MAPT (0.57) MAPTL3MBTL1NPSR1KDM4EMEN1
SCHEMBL13791556 0.85 L3MBTL1 (0.65) MAPTL3MBTL1NPSR1KDM4EMEN1
SCHEMBL27285607 0.82 MAPT (0.50) MAPTL3MBTL1NPSR1KDM4EMEN1
SCHEMBL16068235 0.81 NPSR1 (0.57) MAPTL3MBTL1NPSR1KDM4EMEN1
1,3-Dimethoxybenzene SCHEMBL2348353 0.80 ACHE (0.58) SMN1; SMN2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL1646477 0.80 TSHR (0.56) MAPTNPSR1MEN1KMT2AHTT
SCHEMBL121487 0.79 KDM4E (0.46) MAPTL3MBTL1KDM4EMAOBMAPK1
SCHEMBL14919359 0.79 ACHE (0.48) MAPTL3MBTL1NPSR1KDM4ESMN1; SMN2

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 3 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
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation ROBICHAUD ALBERT J (US) 2004-07-01 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 (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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 MAPT 1163/4885L3MBTL1 3548/4885NPSR1 2493/4885
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation HTR2C, HTR2B, HTR3B MAPT 4501/4885L3MBTL1 1257/4885NPSR1 61/4885

“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.