SCHEMBL1785351

SCHEMBL1785351

COc1cc(Cl)c(C(N)=O)cc1-n1cccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.42
GHSR Q92847 1/20 0.41
GPR52 Q9Y2T5 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
NTRK1 P04629 1/20 0.39
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 6/20 0.39
IRAK4 Q9NWZ3 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3706149 0.88 GHSR (0.41) GHSRKMT2AMEN1ALDH1A1MAPT
SCHEMBL1784466 0.87 GHSR (0.42) GHSRKMT2AMEN1ALDH1A1MAPT
SCHEMBL1788949 0.86 IRAK4 (0.45) CAPN1KMT2AMEN1ALDH1A1MAPT
SCHEMBL1787503 0.86 HCAR1 (0.46) CAPN1GHSRGPR52KMT2AMEN1
SCHEMBL1786708 0.84 CAPN1 (0.47) CAPN1GHSRKMT2AMEN1ALDH1A1
SCHEMBL1789180 0.83 CAPN1 (0.42) CAPN1KMT2AMEN1ALDH1A1MAPT
SCHEMBL1783427 0.80 CAPN1 (0.42) CAPN1KMT2AMEN1ALDH1A1MAPT
SCHEMBL1787373 0.76 NTRK1 (0.38) GPR52KMT2AMEN1KDM4ENTRK1
SCHEMBL1784772 0.76 HSP90AA1 (0.37) GHSRKMT2AMEN1ALDH1A1MAPT
SCHEMBL1786846 0.76 HCAR1 (0.47) GHSRALDH1A1KDM4ELMNAHCRTR1

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 CAPN1 2179/4885GHSR 2/4885GPR52 38/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R CAPN1 3888/4885GHSR 30/4885GPR52 1289/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R CAPN1 4166/4885GHSR 59/4885GPR52 68/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R CAPN1 2179/4885GHSR 2/4885GPR52 38/4885

“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.