SCHEMBL14324953

SCHEMBL14324953

COc1ccc(CNc2nc3ccc(C4CC4C)cc3cc2/C=C(\C)C(=O)NCCC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRUNE1 Q86TP1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITK Q08881 1/20 0.33
PDE2A O00408 1/20 0.32
MAOA P21397 1/20 0.32
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
GSK3B P49841 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
SCHEMBL14324954 1.00 ALDH1A1 (0.36) ALDH1A1TP53MAPTTDP1PRUNE1
SCHEMBL14321924 0.86 ALDH1A1 (0.39) ALDH1A1TP53MAPTTDP1PRUNE1
SCHEMBL14321926 0.86 ALDH1A1 (0.39) ALDH1A1TP53MAPTTDP1PRUNE1
SCHEMBL14322063 0.80 TP53 (0.35) ALDH1A1TP53MAPTTDP1GSK3B
SCHEMBL14322062 0.80 TP53 (0.35) ALDH1A1TP53MAPTTDP1GSK3B
SCHEMBL9396 0.79 BACE1 (0.48) ALDH1A1TP53
SCHEMBL9397 0.79 BACE1 (0.48) ALDH1A1TP53
SCHEMBL13635 0.71 MEN1 (0.43) ALDH1A1TP53MAPTTDP1PRUNE1
SCHEMBL9404 0.71 MEN1 (0.43) ALDH1A1TP53MAPTTDP1PRUNE1
SCHEMBL9405 0.71 MEN1 (0.43) ALDH1A1TP53MAPTTDP1PRUNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP ALDH1A1 1846/4885TP53 2390/4885MAPT 809/4885

“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.