SCHEMBL3717603

SCHEMBL3717603

FC(F)(F)COc1ccc(-c2cc(CCl)on2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ L3MBTL1 Q9Y468 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 8/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.47
▸ POLB P06746 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CXCR1 P25024 2/20 0.42
▸ NOTUM Q6P988 2/20 0.42
▸ FAAH O00519 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ SCN5A Q14524 1/20 0.39

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
SCHEMBL1220932 0.83 RAB9A (0.47) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL541998 0.81 MAPT (0.56) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL1219816 0.81 NOTUM (0.47) RAB9ANPC1L3MBTL1SMN1; SMN2MEN1
SCHEMBL1221372 0.81 RAB9A (0.51) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL1219704 0.81 RAB9A (0.45) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL1221320 0.79 CYP19A1 (0.55) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL1220844 0.79 L3MBTL1 (0.53) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL1221306 0.78 MAPT (0.66) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL1221909 0.78 L3MBTL1 (0.59) RAB9ANPC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL1220628 0.77 L3MBTL1 (0.43) RAB9ANPC1L3MBTL1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 — — WO disclosed
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-08-06 — — 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-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 RAB9A 2101/4885NPC1 228/4885L3MBTL1 3512/4885

“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.

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