SCHEMBL5117600

SCHEMBL5117600

Cc1nc(-c2ccc(Br)c(C)c2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
S1PR1 P21453 4/20 0.57
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MAPT P10636 2/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
PLK1 P53350 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
S1PR3 Q99500 1/20 0.43
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 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
SCHEMBL12267055 0.86 L3MBTL1 (0.61) L3MBTL1S1PR1CA12CA1CA2
SCHEMBL12267104 0.84 L3MBTL1 (0.67) L3MBTL1S1PR1CA12CA1CA2
SCHEMBL25384005 0.83 L3MBTL1 (0.57) L3MBTL1S1PR1CA12CA1CA2
SCHEMBL25383941 0.83 L3MBTL1 (0.57) L3MBTL1S1PR1CA12CA1CA2
SCHEMBL30509199 0.81 HTT (0.57) L3MBTL1S1PR1MAPTRAB9ANPC1
SCHEMBL428750 0.81 HTT (0.57) L3MBTL1S1PR1MAPTRAB9ANPC1
SCHEMBL7453298 0.81 L3MBTL1 (0.54) L3MBTL1S1PR1CA12CA1CA2
SCHEMBL12586374 0.81 L3MBTL1 (0.62) L3MBTL1S1PR1CA12CA1CA2
SCHEMBL15261955 0.80 L3MBTL1 (0.56) L3MBTL1S1PR1CA12CA1CA2
SCHEMBL25383050 0.80 L3MBTL1 (0.57) L3MBTL1S1PR1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968157-B2 Discotic nematic material, composition, retardation plate, elliptically-polarizing plate and compound FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7968156-B2 Compound, composition, retardation plate, elliptically-polarizing plate and liquid-crystal display device FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7944530-B2 Optical film, polarizing plate and liquid crystal display device including an optically anisotropic layer formed from a mixture including two or more liquid crystal compounds FUJIFILM CORPORATION (JP) 2011-05-17 US disclosed
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed
US-20090096961-A1 OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-04-16 US disclosed
US-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND FUJIFILM CORPORATION (JP) 2009-03-12 US disclosed
US-7431972-B2 Optical film, and polarizing plate and liquid crystal display device using the same FUJIFILM CORPORATION (JP) 2008-10-07 US disclosed
US-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
EP-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
US-20070065601-A1 Optical film, and polarizing plate and liquid crystal display device using the same FUJI PHOTO FILM CO., LTD. (JP) 2007-03-22 US disclosed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
EP-0716656-A1 AMIDE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-19 EP disclosed
US-5510350-A USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1996-04-23 US disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 WO disclosed
WO-1995006644-A1 AMIDE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-03-09 WO disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 US disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP 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 (2 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-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND H1-2, H1-0, CCNL2 L3MBTL1 927/4885S1PR1 2805/4885CA12 3622/4885
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE PYM1, CCNA1, CCND1 L3MBTL1 607/4885S1PR1 3678/4885CA12 787/4885

“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.