SCHEMBL8418331

SCHEMBL8418331

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.61
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ PLK1 P53350 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ RARA P10276 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ RARG P13631 1/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 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
SCHEMBL14363620 0.88 L3MBTL1 (0.62) L3MBTL1CA12CA1CA2CA9
SCHEMBL7601476 0.86 L3MBTL1 (0.61) L3MBTL1CA12CA1CA2CA9
SCHEMBL12267104 0.84 L3MBTL1 (0.67) L3MBTL1CA12CA1CA2CA9
SCHEMBL14561488 0.83 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL8226165 0.83 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL14363616 0.83 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL12021892 0.83 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL8282433 0.83 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL27364860 0.83 L3MBTL1 (0.57) L3MBTL1CA12CA1CA2CA9
SCHEMBL19294277 0.81 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191445-B1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-12 — — EP 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-7968157-B2 Discotic nematic material, composition, retardation plate, elliptically-polarizing plate and compound 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-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND FUJIFILM CORPORATION (JP) 2009-03-12 — — US disclosed
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 — — 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-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
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 — — 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 L3MBTL1 4142/4885CA12 4809/4885CA1 3419/4885
US-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND H1-2, H1-0, CCNL2 L3MBTL1 927/4885CA12 3622/4885CA1 3693/4885
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE PYM1, CCNA1, CCND1 L3MBTL1 607/4885CA12 787/4885CA1 1843/4885

“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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