SCHEMBL1019756

SCHEMBL1019756

O=C=Nc1ccc2c(c1)OCCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
CYP3A4 P08684 2/20 0.41
TRPA1 O75762 1/20 0.41
NR2F2 P24468 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39

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
SCHEMBL29540837 0.93 ADRA2A (0.53) ADRA2AADRA2BADRA2CMAPTSMN1; SMN2
SCHEMBL592019 0.93 ADRA2A (0.53) ADRA2AADRA2BADRA2CMAPTSMN1; SMN2
SCHEMBL21124236 0.88 MAPT (0.49) ADRA2AADRA2BADRA2CMAPTSMN1; SMN2
SCHEMBL29648863 0.85 HTR3E (0.53) ADRA2AADRA2BADRA2CMAPTSMN1; SMN2
SCHEMBL140824 0.85 HTR3E (0.53) ADRA2AADRA2BADRA2CMAPTSMN1; SMN2
SCHEMBL26323681 0.81 DYRK1A (0.43) MAPK1TDP1CYP3A4TRPA1ERN1
SCHEMBL1019306 0.77 PRKCI (0.44) ADRA2AADRA2BADRA2CMAPTSMN1; SMN2
SCHEMBL276124 0.74 ADRA2A (0.53) ADRA2AADRA2BADRA2CMAPTSMN1; SMN2
SCHEMBL97119 0.72 NPC1 (0.45) MAPTSMN1; SMN2ALDH1A1TDP1NPC1
SCHEMBL14256915 0.71 ADRA2A (0.58) ADRA2AADRA2BADRA2CMAPTSMN1; 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 EP disclosed
EP-3296309-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit Gent (BE) 2018-03-21 EP disclosed
EP-2877480-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2017-09-06 EP disclosed
US-9321796-B2 Galactopyranosyl derivatives useful as medicaments UNIVERSITEIT GENT (BE) 2016-04-26 US disclosed
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS AMBICION CO., LTD. (JP) 2015-07-30 US disclosed
EP-2877480-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit van Gent (BE) 2015-06-03 EP disclosed
WO-2014001204-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIVERSITEIT GENT (BE) 2014-01-03 WO disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom UNIBIOSCREEN S.A. (BE) 2008-11-27 US disclosed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP disclosed
EP-1960365-A2 AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM Unibioscreen S.A. (BE) 2008-08-27 EP disclosed
US-20080200404-A1 Novel Antimalarial 9A-Carbamoyl-Aminoalkyl and 9A-Thiocarbamoyl-Aminoalkyl Azalides GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2008-08-21 US disclosed
US-20080200404-A1 Novel Antimalarial 9A-Carbamoyl-Aminoalkyl and 9A-Thiocarbamoyl-Aminoalkyl Azalides GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2008-08-21 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO disclosed
WO-2007054292-A2 AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2007-05-18 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-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP ADRA2A 178/4885ADRA2B 179/4885ADRA2C 57/4885
US-20080292585-A1 Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom AADAC, NOTUM, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADRA2A 3899/4885ADRA2B 4028/4885ADRA2C 3536/4885
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS B3GAT3, GALR3, ST6GAL1 ADRA2A 2262/4885ADRA2B 1138/4885ADRA2C 889/4885
US-20080200404-A1 Novel Antimalarial 9A-Carbamoyl-Aminoalkyl and 9A-Thiocarbamoyl-Aminoalkyl Azalides DCTD, DHODH, DHRS9 ADRA2A 1747/4885ADRA2B 1282/4885ADRA2C 2810/4885

“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.