SCHEMBL1785062

SCHEMBL1785062

COc1cc(Cl)c(C(=O)O)cc1N.[KH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42
CLCN2 P51788 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL11775476 0.98 GAA (0.53) GAAALDH1A1L3MBTL1HPGDLCK
SCHEMBL1356241 0.91 GAA (0.58) GAAALDH1A1L3MBTL1HPGDLCK
SCHEMBL2818164 0.83 LCK (0.60) ALDH1A1HPGDLCKFYNNPC1
SCHEMBL2902421 0.83 ALDH1A1 (0.56) GAAALDH1A1L3MBTL1HPGDLCK
SCHEMBL1787264 0.83 GAA (0.66) GAAALDH1A1L3MBTL1HPGDPOLB
SCHEMBL1788804 0.82 HSD17B10 (0.47) GAAALDH1A1L3MBTL1HPGDPOLB
SCHEMBL8901228 0.82 ALDH1A1 (0.59) GAAALDH1A1L3MBTL1HPGDLCK
SCHEMBL2730020 0.82 ALDH1A1 (0.49) GAAALDH1A1HPGDLCKFYN
Potassium Ion SCHEMBL1785060 0.81 GAA (0.50) GAAALDH1A1L3MBTL1POLBNPC1
SCHEMBL15048858 0.80 ALDH1A1 (0.44) GAAALDH1A1L3MBTL1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
CN-101883762-A Benzothiazoles as modulators of growth hormone releasing hormone receptors ASTRAZENECA AB 2010-11-10 CN disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R GAA 1879/4885ALDH1A1 2084/4885L3MBTL1 1929/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R GAA 402/4885ALDH1A1 650/4885L3MBTL1 771/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R GAA 549/4885ALDH1A1 918/4885L3MBTL1 3499/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R GAA 1879/4885ALDH1A1 2084/4885L3MBTL1 1929/4885

“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.