SCHEMBL3717490

SCHEMBL3717490

COCCCOc1ccc(-c2cc(CCl)on2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.54
▸ MAPT P10636 3/20 0.54
▸ SMN1; SMN2 Q16637 7/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ POLB P06746 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ CXCR1 P25024 7/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PTPN1 P18031 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
SCHEMBL1221909 0.93 L3MBTL1 (0.59) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1221320 0.89 CYP19A1 (0.55) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1219453 0.86 CYP19A1 (0.52) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1220844 0.86 L3MBTL1 (0.53) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1221372 0.85 RAB9A (0.51) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1221633 0.84 CXCR1 (0.67) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL541998 0.83 MAPT (0.56) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1221306 0.83 MAPT (0.66) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL1221249 0.83 CXCR1 (0.58) L3MBTL1MAPTSMN1; SMN2RAB9ANPC1
Carbamic Acid SCHEMBL189445 0.79 SMN1; SMN2 (0.46) L3MBTL1MAPTSMN1; 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 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 L3MBTL1 3512/4885MAPT 1426/4885SMN1; SMN2 495/4885

“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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