SCHEMBL1786513

SCHEMBL1786513

NC(=O)c1cc(OCCBr)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCL1 Q07820 1/20 0.39
PARP10 Q53GL7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
P2RX7 Q99572 1/20 0.37
P2RY12 Q9H244 1/20 0.37

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
SCHEMBL5460863 0.86 SIRT2 (0.45) SIRT2KDM4EALDH1A1LMNAMAPT
SCHEMBL10715205 0.83 MAOB (0.43) SIRT2KDM4EALDH1A1MAPTHPGD
SCHEMBL1785633 0.81 PARP10 (0.54) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL201318 0.81 THRB (0.55) LMNAMAPT
SCHEMBL12432871 0.81 THRB (0.55) LMNAMAPT
SCHEMBL4742483 0.80 THRB (0.45) SIRT2KDM4EALDH1A1LMNAPARP10
SCHEMBL201218 0.77 MAOB (0.45) SIRT2KDM4ESMN1; SMN2POLB
SCHEMBL4779223 0.76 KDM4E (0.59) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL29849556 0.76 KDM4E (0.59) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2850887 0.75 CASP1 (0.55) KDM4EALDH1A1LMNAMAPTHPGD

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 15 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
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 US disclosed
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-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US 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
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 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
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US 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 SIRT2 1965/4885KDM4E 1188/4885ALDH1A1 2084/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R SIRT2 2435/4885KDM4E 3215/4885ALDH1A1 650/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R SIRT2 666/4885KDM4E 3524/4885ALDH1A1 918/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R SIRT2 1965/4885KDM4E 1188/4885ALDH1A1 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.