SCHEMBL1787616

SCHEMBL1787616

COC(=O)c1cc([N+](=O)[O-])c(OC(C)C)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PDK1 Q15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.40
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 2/20 0.39
SIRT6 Q8N6T7 1/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL30798520 0.89 PDK1 (0.50) MEN1KMT2APDK1TDP1PDGFRB
SCHEMBL24718245 0.89 PDK1 (0.50) MEN1KMT2APDK1TDP1PDGFRB
SCHEMBL1015156 0.86 PDK1 (0.51) MEN1KMT2APDK1TDP1LMNA
SCHEMBL1012785 0.86 PDK1 (0.51) MEN1KMT2APDK1TDP1LMNA
SCHEMBL1787152 0.86 LMNA (0.52) MEN1KMT2ATDP1PDGFRBFGFR1
SCHEMBL29152508 0.84 PDK1 (0.46) PDK1TDP1PDGFRBFGFR1PDGFRA
SCHEMBL26814515 0.81 PDK1 (0.46) MEN1KMT2APDK1TDP1PDGFRB
SCHEMBL1785981 0.81 MEN1 (0.47) MEN1KMT2ATDP1PDGFRBFGFR1
SCHEMBL1786813 0.81 MEN1 (0.51) MEN1KMT2ATDP1PDGFRBFGFR1
SCHEMBL2903296 0.81 TDP1 (0.53) MEN1KMT2ATDP1PDGFRBFGFR1

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 MEN1 2250/4885KMT2A 1721/4885PDK1 3035/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R MEN1 692/4885KMT2A 3139/4885PDK1 1488/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R MEN1 1253/4885KMT2A 2304/4885PDK1 2355/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R MEN1 2250/4885KMT2A 1721/4885PDK1 3035/4885

“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.