SCHEMBL1646547

SCHEMBL1646547

O=C(OCc1ccccc1)c1cc(F)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.57
▸ LRRK2 Q5S007 2/20 0.56
▸ NPC1 O15118 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.51
▸ FOLH1 Q04609 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ SGMS2 Q8NHU3 2/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL6133440 0.89 FFAR4 (0.58) HTTNPC1L3MBTL1LMNAMAPT
SCHEMBL31371501 0.89 FFAR4 (0.58) HTTNPC1L3MBTL1LMNAMAPT
SCHEMBL23182775 0.87 KMT2A (0.55) HTTNPC1L3MBTL1LMNAMAPT
SCHEMBL17040660 0.87 FFAR4 (0.60) HTTLRRK2NPC1L3MBTL1LMNA
SCHEMBL1646699 0.87 FOLH1 (0.67) LRRK2NPC1L3MBTL1LMNAMAPT
SCHEMBL9832985 0.87 FEN1 (0.50) HTTLRRK2NPC1L3MBTL1LMNA
SCHEMBL4415350 0.85 HTT (0.75) HTTNPC1L3MBTL1LMNAALDH1A1
SCHEMBL23809724 0.85 ALDH1A1 (0.62) HTTL3MBTL1LMNAALDH1A1TDP1
SCHEMBL1647432 0.84 TDP1 (0.58) HTTNPC1L3MBTL1LMNAMAPT
SCHEMBL29707531 0.84 LRRK2 (0.60) LRRK2NPC1L3MBTL1LMNAMAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 — — EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 — — US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 — — EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 — — US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 — — WO disclosed
US-7595337-B2 2-Carbonyl-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole derivatives such as 2-acetyl-8-fluoro-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole and 3S,3aS)-2-acetyl-8-chloro-7-methyl-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole that are useful for treating cancer MERCK & CO. INC. (US) 2009-09-29 — — US disclosed
US-7595337-B2 2-Carbonyl-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole derivatives such as 2-acetyl-8-fluoro-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole and 3S,3aS)-2-acetyl-8-chloro-7-methyl-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole that are useful for treating cancer MERCK & CO. INC. (US) 2009-09-29 — — US disclosed
US-7595337-B2 2-Carbonyl-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole derivatives such as 2-acetyl-8-fluoro-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole and 3S,3aS)-2-acetyl-8-chloro-7-methyl-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole that are useful for treating cancer MERCK & CO. INC. (US) 2009-09-29 — — US disclosed
US-20080182843-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-07-31 — — US disclosed
US-20080182843-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-07-31 — — US disclosed
EP-1851213-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-11-07 — — EP disclosed
WO-2006086358-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-08-17 — — WO disclosed
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 — — EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 — — US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 — — US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 — — EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 — — WO disclosed
US-5914406-A ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMAN-LA ROCHE INC. (US) 1999-06-22 — — US disclosed
US-5750706-A TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMANN-LA ROCHE INC. (US) 1998-05-12 — — US disclosed
US-5583222-A ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 — — 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 (3 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-20080182843-A1 Mitotic Kinesin Inhibitors KIF2C, KIF5B, KIF18B HTT 1217/4885LRRK2 1983/4885NPC1 1285/4885
US-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 HTT 110/4885LRRK2 1/4885NPC1 792/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 HTT 4102/4885LRRK2 4110/4885NPC1 3627/4885

“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.

Send feedback