SCHEMBL1963808

SCHEMBL1963808

COc1cc2c(C(=O)O)n[nH]c2cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 14/20 0.53
PRKAA1 Q13131 14/20 0.53
PRKAB1 Q9Y478 14/20 0.53
PRKAB2 O43741 13/20 0.53
PRKAA2 P54646 13/20 0.53
PRKAG3 Q9UGI9 13/20 0.53
PRKAG2 Q9UGJ0 13/20 0.53
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43

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
SCHEMBL1963540 0.94 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL27363663 0.88 PRKAA1 (0.57) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL29122039 0.81 KDM4E (0.52) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL30676700 0.81 KDM4E (0.52) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL27777072 0.78 PRKAG1 (0.47) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12479871 0.75 KDM4E (0.44) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL31393189 0.75 AXL (0.45) L3MBTL1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL1964504 0.75 PRKAG1 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL13632234 0.74 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL14915843 0.74 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 US disclosed
US-8486937-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2013-07-16 US disclosed
US-8263619-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-11 US disclosed
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 US disclosed
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2010-04-29 US disclosed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 US disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO 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 (4 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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 PRKAG1 1882/4885PRKAA1 1894/4885PRKAB1 2165/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 PRKAG1 1796/4885PRKAA1 1849/4885PRKAB1 2098/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 PRKAG1 1882/4885PRKAA1 1894/4885PRKAB1 2165/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 PRKAG1 1796/4885PRKAA1 1849/4885PRKAB1 2098/4885

“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.