SCHEMBL13780682

SCHEMBL13780682

O=C(O)CCNCC(O)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 12/20 0.64
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
BACE1 P56817 1/20 0.57
PRMT1 Q99873 1/20 0.56
PER2 O15055 1/20 0.56
CRY1 Q16526 1/20 0.56
CRY2 Q49AN0 1/20 0.56

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
SCHEMBL12858681 0.82 DNM1 (0.67) DNM1KDM4EALDH1A1BACE1PRMT1
SCHEMBL17138489 0.81 DNM1 (0.65) DNM1BACE1PRMT1
SCHEMBL28590219 0.79 DNM1 (0.62) DNM1BACE1PRMT1PER2CRY1
SCHEMBL410770 0.78 DNM1 (1.00) DNM1
SCHEMBL17138550 0.77 DNM1 (0.60) DNM1KDM4EALDH1A1BACE1PER2
SCHEMBL17138537 0.77 DNM1 (0.60) DNM1KDM4EALDH1A1BACE1PER2
SCHEMBL17138535 0.77 DNM1 (0.60) DNM1KDM4EALDH1A1BACE1PER2
SCHEMBL408965 0.75 DNM1 (1.00) DNM1KDM4EALDH1A1BACE1PER2
SCHEMBL14889275 0.75 BACE1 (1.00) DNM1BACE1PER2
SCHEMBL28545938 0.74 DNM1 (0.63) DNM1BACE1PER2CRY1CRY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 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 (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-20090175805-A1 Neuraminidase Inhibitors and uses thereof ENGASE, NEU1, NEU2 DNM1 1571/4885KDM4E 2155/4885ALDH1A1 867/4885

“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.