SCHEMBL1671882

SCHEMBL1671882

CN(CCO)CCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
ALDH1A1 P00352 6/20 0.48
CYP1A2 P05177 2/20 0.47
RECQL P46063 1/20 0.47
CYP2C9 P11712 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL14058531 0.84 GAA (0.57) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL4104400 0.82 GAA (0.62) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL31208305 0.82 GAA (0.62) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL10601228 0.81 MAOB (0.62) GAAALDH1A1SMN1; SMN2MAOB
SCHEMBL2452322 0.80 GAA (0.69) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL20125239 0.80 GAA (0.59) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL4917285 0.79 GAA (0.54) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL17354801 0.78 MAOB (0.49) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL17770699 0.77 GAA (0.65) GAAALDH1A1CYP1A2RECQLCYP2C9
SCHEMBL4853171 0.77 GAA (0.65) GAAALDH1A1CYP1A2RECQLCYP2C9

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-20120302516-A1 NANOPARTICLES FOR DRUG DELIVERY UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2012-11-29 US disclosed
EP-2490723-A1 NANOPARTICLES FOR DRUG DELIVERY University Of Louisville Research Foundation, Inc. (US) 2012-08-29 EP disclosed
WO-2011049972-A1 NANOPARTICLES FOR DRUG DELIVERY UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-04-28 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 (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-20120302516-A1 NANOPARTICLES FOR DRUG DELIVERY HIF1AN, CD47, EGLN2 GAA 2209/4885ALDH1A1 757/4885CYP1A2 997/4885

“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.