SCHEMBL22130474

SCHEMBL22130474

CC1(C(=O)Nc2nnn[nH]2)CNc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.32
BRD4 O60885 1/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL22864673 0.80 BRD4 (0.37) BRD4
SCHEMBL31378040 0.80 BRD4 (0.37) BRD4
SCHEMBL22130447 0.75 NOTUM (0.49)
SCHEMBL22130448 0.74 NPY5R (0.41)
SCHEMBL6448185 0.72 BRD4 (0.39) BRD4
SCHEMBL29897781 0.72 BRD4 (0.39) BRD4
SCHEMBL29897761 0.71 KDM4E (0.43) BRD4
SCHEMBL20506587 0.71 KDM4E (0.43) BRD4
SCHEMBL22864629 0.70 BRD4 (0.38) BRD4
SCHEMBL9364772 0.65 BRD4 (0.59) BRD4KCNH2

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-10688080-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-23 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-10688080-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA NR3C1 4636/4885BRD4 3752/4885KCNH2 3196/4885

“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.