SCHEMBL19785680

SCHEMBL19785680

O=C1CCCC(O)N1CCc1ncc2[nH]cnc2n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.37
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL17525687 0.80 ALDH1A1 (0.39) PAK1ALDH1A1KDM4ERXFP1
SCHEMBL27658630 0.70 ALDH1A1 (0.50) PAK1ALDH1A1KDM4ERXFP1
SCHEMBL20880132 0.70 TERT (0.39) ALDH1A1KDM4E
SCHEMBL19793300 0.68 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL22538976 0.66 EPHX1 (0.40) ALDH1A1RXFP1
SCHEMBL28991359 0.66 ALDH1A1 (0.45) PAK1ALDH1A1KDM4ERXFP1
SCHEMBL20827763 0.66 MPG (0.44) ALDH1A1KDM4E
SCHEMBL22538918 0.65 FDPS (0.35) ALDH1A1
SCHEMBL19780652 0.65 NPC1 (0.38)
SCHEMBL21274620 0.65 ALDH1A1 (0.44) PAK1ALDH1A1KDM4ERXFP1

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-20180016257-A1 Glutarimide Derivatives, Use Thereof, Pharmaceutical Composition Based Thereon and Methods for Producing Glutarimide Derivatives OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2018-01-18 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-20180016257-A1 Glutarimide Derivatives, Use Thereof, Pharmaceutical Composition Based Thereon and Methods for Producing Glutarimide Derivatives GCDH, HADH, OGDH PAK1 4073/4885ALDH1A1 620/4885KDM4E 2236/4885

“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.