SCHEMBL16048596

SCHEMBL16048596

CCOc1cc(OCc2ccccc2)ccc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
MAOB P27338 8/20 0.49
MAOA P21397 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BCHE P06276 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
APP P05067 1/20 0.45
GAA P10253 1/20 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
SCHEMBL27696607 0.86 MAOB (0.58) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL28874699 0.83 MAOB (0.58) MAOBHTR1ASMN1; SMN2APPGAA
SCHEMBL12478752 0.81 ALOX5 (0.51) ALOX5MAOBMAOALMNACYP1A2
SCHEMBL24159702 0.79 MAOB (0.54) ALOX5MAOBMAOALMNACYP1A2
SCHEMBL31725938 0.79 ALOX5 (0.56) ALOX5MAOBMAOALMNACYP1A2
SCHEMBL5901973 0.78 MAOB (0.53) ALOX5MAOBMAOAHTR1AADRA1D
SCHEMBL3370062 0.78 MAOB (0.52) ALOX5MAOBMAOAHTR1AADRA1D
SCHEMBL11293541 0.77 LMNA (0.67) ALOX5MAOBMAOALMNACYP1A2
SCHEMBL15968723 0.77 LMNA (0.61) ALOX5MAOBMAOALMNACYP1A2
SCHEMBL13434095 0.76 MAOB (0.73) ALOX5MAOBMAOABCHESMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789100-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-17 US disclosed
EP-2970191-B1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-12-21 EP disclosed
US-20160271123-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-09-22 US disclosed
US-9382238-B2 Pyridine derivatives as rearranged during transfection (RET) kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-07-05 US disclosed
EP-2970191-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-01-20 EP disclosed
US-20160002215-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-07 US disclosed
US-9035063-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-19 US disclosed
US-20150099762-A1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-04-09 US disclosed
US-8937071-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-01-20 US disclosed
WO-2014141187-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-18 WO disclosed
US-20140275111-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-18 US 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-20150099762-A1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB ALOX5 3741/4885MAOB 2316/4885MAOA 2948/4885
US-20140275111-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB ALOX5 4045/4885MAOB 2859/4885MAOA 3357/4885
US-20160271123-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB ALOX5 4045/4885MAOB 2859/4885MAOA 3357/4885
US-20160002215-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS RET, FER, NTRK1 ALOX5 4330/4885MAOB 2437/4885MAOA 2998/4885

“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.