SCHEMBL8619456

SCHEMBL8619456

O=C(Oc1ccccc1)c1ncccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 5/20 0.53
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NSD2 O96028 1/20 0.47
POLB P06746 1/20 0.46
CYP19A1 P11511 1/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
PARP10 Q53GL7 1/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL29016510 0.84 HSD17B10 (0.47) ALDH1A1MAPTHSD17B10HPGDALOX15
SCHEMBL3170736 0.81 ALDH1A1 (0.47) ALDH1A1MAPTHSD17B10HPGDALOX15
SCHEMBL3961211 0.80 MAPT (0.69) ALDH1A1MAPTHSD17B10HPGDALOX15
SCHEMBL30185288 0.80 MAPT (0.69) ALDH1A1MAPTHSD17B10HPGDALOX15
SCHEMBL1669166 0.78 CES2 (0.42) ALDH1A1MAPTHSD17B10KDM4EPOLB
SCHEMBL7508432 0.77 MAPT (0.61) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL69045 0.76 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10HPGDALOX15
SCHEMBL17674093 0.76 ALOX5 (0.59) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL31058830 0.76 P2RX7 (0.41) ALDH1A1MAPTHSD17B10ALOX15TDP1
SCHEMBL68414 0.75 TDP1 (0.66) ALDH1A1MAPTHSD17B10HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10045724-A None JP disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 WO disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
CN-100448870-C 2-aminoquinoline derivative BANYU PHARMA CO LTD (JP) 2009-01-07 CN disclosed
CN-1791594-A 2-aminoquinoline derivatives BANYU PHARMA CO LTD (JP) 2006-06-21 CN disclosed
JP-H1045724-A PRODUCTION OF N-SULFONYLPYRIMIDINECARBOXYLIC ACID AMIDE DERIVATIVE IHARA CHEM IND CO LTD 1998-02-17 JP 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 (3 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1726/4885MAPT 267/4885HSD17B10 2085/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1726/4885MAPT 267/4885HSD17B10 2085/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885MAPT 290/4885HSD17B10 1546/4885

“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.