SCHEMBL1221633

SCHEMBL1221633

CN(C)CCCOc1ccc(-c2cc(CCl)on2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 5/20 0.67
▸ LSS P48449 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ PTPN1 P18031 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.44
▸ TLR7 Q9NYK1 2/20 0.44

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
SCHEMBL1221249 0.94 CXCR1 (0.58) CXCR1MAPTL3MBTL1PTPN1SMN1; SMN2
SCHEMBL1221320 0.87 CYP19A1 (0.55) CXCR1MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL3717490 0.84 L3MBTL1 (0.54) CXCR1MAPTL3MBTL1PTPN1SMN1; SMN2
SCHEMBL1219453 0.84 CYP19A1 (0.52) CXCR1MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL1220844 0.84 L3MBTL1 (0.53) CXCR1MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL1221909 0.83 L3MBTL1 (0.59) CXCR1MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL1221372 0.83 RAB9A (0.51) CXCR1MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL541998 0.81 MAPT (0.56) CXCR1MAPTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL4317402 0.79 CXCR1 (0.54) CXCR1LSSMAPTL3MBTL1PTPN1
SCHEMBL1221306 0.78 MAPT (0.66) MAPTL3MBTL1SMN1; SMN2RAB9ANPC1

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-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
WO-2010006096-A1 PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 — — WO 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 CXCR1 2044/4885LSS 130/4885MAPT 1426/4885
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, RPL35 CXCR1 2044/4885LSS 130/4885MAPT 1426/4885
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 CXCR1 2044/4885LSS 130/4885MAPT 1426/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 CXCR1 3725/4885LSS 827/4885MAPT 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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