SCHEMBL266449

SCHEMBL266449

Cc1cc2cc(Br)ccc2oc1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.61
▸ GRIN1 Q05586 1/20 0.58
▸ GRIN2A Q12879 1/20 0.58
▸ GRIN2B Q13224 1/20 0.58
▸ GRIN2C Q14957 1/20 0.58
▸ GPR35 Q9HC97 1/20 0.58
▸ CA12 O43570 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ ALDH2 P05091 1/20 0.56
▸ ALDH1A3 P47895 1/20 0.56
▸ LMNA P02545 3/20 0.56
▸ PKM P14618 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ USP2 O75604 2/20 0.52
▸ HTT P42858 1/20 0.52

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
SCHEMBL31415663 0.85 HSD17B3 (0.64) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL13769010 0.81 MAOB (0.54) MAOACA12CA9CA1CA2
SCHEMBL31558612 0.81 MAOB (0.64) MAOACA12CA9CA1CA2
SCHEMBL8344553 0.81 MAOB (0.64) MAOACA12CA9CA1CA2
SCHEMBL1367996 0.79 GRIN1 (0.79) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL21438975 0.78 GRIN1 (0.63) MAOAGRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL10791744 0.78 HSD17B3 (0.74) MAOACA12CA9CA1CA2
SCHEMBL16284310 0.78 NPC1 (0.57) MAOACA12CA9CA1CA2
SCHEMBL28994275 0.78 CA12 (0.57) CA12CA9CA1CA2LMNA
SCHEMBL2297177 0.76 CYP2A6 (0.53) MAOAGRIN1GRIN2AGRIN2BGRIN2C

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
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 — — EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 — — 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 MAOA 3170/4885GRIN1 1862/4885GRIN2A 1847/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 MAOA 3549/4885GRIN1 1671/4885GRIN2A 2151/4885

“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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