SCHEMBL1221372

SCHEMBL1221372

FCCCOc1ccc(-c2cc(CCl)on2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ MAPT P10636 8/20 0.49
▸ L3MBTL1 Q9Y468 6/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ NOTUM Q6P988 3/20 0.46
▸ CXCR1 P25024 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL1221320 0.87 CYP19A1 (0.55) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL3717490 0.85 L3MBTL1 (0.54) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL1219453 0.85 CYP19A1 (0.52) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL1220844 0.84 L3MBTL1 (0.53) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL1221909 0.83 L3MBTL1 (0.59) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL1221633 0.83 CXCR1 (0.67) RAB9ANPC1MAPTL3MBTL1MEN1
Carbamic Acid SCHEMBL189445 0.82 SMN1; SMN2 (0.46) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL541998 0.81 MAPT (0.56) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL1221249 0.81 CXCR1 (0.58) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL3717603 0.81 RAB9A (0.51) RAB9ANPC1MAPTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
WO-2010081149-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 — — WO disclosed
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 — — WO disclosed
EP-2178877-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GlaxoSmithKline LLC (US) 2010-04-28 — — EP disclosed
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 — — US disclosed
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-08-06 — — US disclosed
US-20090074717-A1 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC 2009-03-19 — — US disclosed
WO-2009011787-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2009-01-22 — — 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 (4 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-20090074717-A1 Anti-viral compounds, compositions, and methods of use HAVCR2, SARS1, RPL35 RAB9A 2101/4885NPC1 228/4885MAPT 1426/4885
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, RPL35 RAB9A 2101/4885NPC1 228/4885MAPT 1426/4885
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 RAB9A 2101/4885NPC1 228/4885MAPT 1426/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 RAB9A 1911/4885NPC1 1585/4885MAPT 2913/4885

“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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