SCHEMBL1786384

SCHEMBL1786384

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 3/20 0.43
SIRT6 Q8N6T7 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
P2RX1 P51575 1/20 0.42
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
COMT P21964 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL24100428 0.94 TDP1 (0.51) TDP1MEN1KMT2APDGFRBFGFR1
SCHEMBL2903296 0.87 TDP1 (0.53) TDP1MEN1KMT2APDGFRBFGFR1
SCHEMBL1786813 0.87 MEN1 (0.51) TDP1MEN1KMT2APDGFRBFGFR1
SCHEMBL9490047 0.87 PDGFRB (0.52) TDP1MEN1KMT2APDGFRBFGFR1
SCHEMBL18863803 0.85 PDGFRB (0.51) TDP1MEN1KMT2APDGFRBFGFR1
SCHEMBL1788077 0.84 PDGFRB (0.55) TDP1MEN1KMT2APDGFRBFGFR1
SCHEMBL1787152 0.83 LMNA (0.52) TDP1MEN1KMT2APDGFRBFGFR1
SCHEMBL14809433 0.83 MEN1 (0.48) TDP1MEN1KMT2APDGFRBFGFR1
SCHEMBL1785458 0.83 MEN1 (0.48) TDP1MEN1KMT2APDGFRBFGFR1
SCHEMBL15822217 0.83 MEN1 (0.48) TDP1MEN1KMT2APDGFRBFGFR1

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 10 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
US-5989451-A Compounds and methods for doping liquid crystal hosts QUEEN'S UNIVERSITY AT KINGSTON (CA) 1999-11-23 US disclosed
WO-1998034995-A1 COMPOUNDS AND METHODS FOR DOPING LIQUID CRYSTAL HOSTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-08-13 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 TDP1 4366/4885MEN1 2250/4885KMT2A 1721/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R TDP1 4230/4885MEN1 692/4885KMT2A 3139/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R TDP1 4334/4885MEN1 1253/4885KMT2A 2304/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R TDP1 4366/4885MEN1 2250/4885KMT2A 1721/4885

“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.