SCHEMBL6097944

SCHEMBL6097944

COCOc1ccc(O)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
USP2 O75604 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
CA12 O43570 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
SCHEMBL8673547 0.81 HSD17B10 (0.61) USP2NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL6099115 0.79 MAOB (0.53) BACE1GAAKDM4EMEN1MAPT
SCHEMBL12587297 0.79 BACE1 (0.43) BACE1MEN1MAPTKMT2AMAOB
SCHEMBL9423697 0.79 ALDH1A1 (0.62) USP2NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL926801 0.78 ALDH1A1 (0.59) HSD17B10ALDH1A1GAAHTTMEN1
SCHEMBL7281787 0.78 ALDH1A1 (0.63) BACE1USP2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30116198 0.78 SLC6A2 (0.41) USP2NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL20597617 0.78 SLC6A2 (0.41) USP2NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL31464131 0.78 BACE1 (0.43) BACE1RAB9AALDH1A1HTTMEN1
SCHEMBL3721034 0.78 HSD17B10 (0.43) BACE1HSD17B10MAPTMAOBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022732-B2 6-substituted 2,3-dihydro-1,4-benzodioxine, 2-position substituted with carboxy, or (C1 C6)alkoxycarbonyl; diabetes, obesity; 6-[2-(R)-[2-(S)-hydroxy-3-(4-hydroxy-3-methanesulfonamido-phenoxy)propylamino]propyl]-2,3-dihydro-1,4-benzodioxine-2-(R)-carboxylic acid; B3 andrenergic receptor agonist NISSHIN PHARMA INC. (JP) 2006-04-04 US disclosed
US-20040235921-A1 Propanolamine derivative having 1, 4-Benzodioxane ring KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-11-25 US disclosed
EP-1426370-A1 PROPANOLAMINE DERIVATIVE HAVING 1,4 BENZODIOXANE RING Nisshin Pharma Inc. (JP) 2004-06-09 EP 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 (1 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-20040235921-A1 Propanolamine derivative having 1, 4-Benzodioxane ring ADRA1D, ADRA1A, ADRB1 BACE1 2566/4885USP2 2783/4885NPC1 268/4885

“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.