SCHEMBL1221249

SCHEMBL1221249

CN(C)CCOc1ccc(-c2cc(CCl)on2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 6/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ESR1 P03372 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ LTA4H P09960 1/20 0.42

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
SCHEMBL1221633 0.94 CXCR1 (0.67) CXCR1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL1220844 0.85 L3MBTL1 (0.53) CXCR1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL1221320 0.85 CYP19A1 (0.55) CXCR1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL1221909 0.84 L3MBTL1 (0.59) CXCR1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL1219453 0.83 CYP19A1 (0.52) CXCR1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL3717490 0.83 L3MBTL1 (0.54) CXCR1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL541998 0.82 MAPT (0.56) CXCR1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL1221372 0.81 RAB9A (0.51) CXCR1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL1221306 0.79 MAPT (0.66) L3MBTL1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1221295 0.76 HRH3 (0.47) CXCR1L3MBTL1MAPTRAB9ASMN1; 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 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 2044/4885L3MBTL1 3512/4885MAPT 1426/4885
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, RPL35 CXCR1 2044/4885L3MBTL1 3512/4885MAPT 1426/4885
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 CXCR1 2044/4885L3MBTL1 3512/4885MAPT 1426/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 CXCR1 3725/4885L3MBTL1 4728/4885MAPT 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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