SCHEMBL1789465

SCHEMBL1789465

COc1cc(Cl)c(C(=O)O)cc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 2/20 0.45
HCAR1 Q9BXC0 3/20 0.45

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
SCHEMBL1787489 0.88 MAPK10 (0.51) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL1785833 0.88 MAPT (0.50) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL12316373 0.84 HTT (0.49) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL5464604 0.78 ALDH1A1 (0.56) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL11064644 0.76 MAPT (0.49) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL21119060 0.75 CA12 (0.53) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL1790337 0.75 ALDH1A1 (0.49) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL12316379 0.75 MAPT (0.47) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1
SCHEMBL12316372 0.75 GAA (0.52) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1
Hydrochloric Acid SCHEMBL6172301 0.74 CA12 (0.51) SMN1; SMN2KDM4EHSD17B10MAPTALDH1A1

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 7 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
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 SMN1; SMN2 1984/4885KDM4E 1188/4885HSD17B10 1559/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R SMN1; SMN2 913/4885KDM4E 3215/4885HSD17B10 995/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R SMN1; SMN2 813/4885KDM4E 3524/4885HSD17B10 790/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R SMN1; SMN2 1984/4885KDM4E 1188/4885HSD17B10 1559/4885

“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.