SCHEMBL1784772

SCHEMBL1784772

COC(=O)c1cc(-n2cccn2)c(OC(C)C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
PTGDR Q13258 1/20 0.36
HCAR1 Q9BXC0 2/20 0.36
GHSR Q92847 2/20 0.36
MAPT P10636 6/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
G6PD P11413 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
P2RX7 Q99572 1/20 0.35
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MDM2 Q00987 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3702097 0.88 PTGDR (0.39) ALDH1A1KDM4EPTGDRHCAR1MAPT
SCHEMBL1784466 0.88 GHSR (0.42) ALDH1A1KDM4EHCAR1GHSRMAPT
SCHEMBL1788949 0.87 IRAK4 (0.45) ALDH1A1KDM4EPTGDRMAPTMEN1
SCHEMBL1785903 0.84 MAPT (0.41) ALDH1A1KDM4EGHSRMAPTMEN1
SCHEMBL1786846 0.84 HCAR1 (0.47) HSP90AA1HSP90B1ALDH1A1KDM4EHCAR1
SCHEMBL1784767 0.82 HCAR1 (0.41) ALDH1A1KDM4EHCAR1MAPTMEN1
SCHEMBL1784464 0.81 ACLY (0.42) ALDH1A1KDM4EHCAR1MAPTMEN1
SCHEMBL3706149 0.77 GHSR (0.41) ALDH1A1KDM4EGHSRMAPTMEN1
SCHEMBL1785351 0.76 CAPN1 (0.42) ALDH1A1KDM4EGHSRMAPTMEN1
SCHEMBL1785879 0.74 NPC1 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A

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 HSP90AA1 610/4885HSP90B1 1330/4885ALDH1A1 2084/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R HSP90AA1 514/4885HSP90B1 562/4885ALDH1A1 650/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R HSP90AA1 490/4885HSP90B1 478/4885ALDH1A1 918/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R HSP90AA1 610/4885HSP90B1 1330/4885ALDH1A1 2084/4885

“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.