SCHEMBL5644435

SCHEMBL5644435

O=C(N[C@@H]1C(=O)Nc2ccccc2O[C@@H]1c1ccccc1)[C@@H](NOC1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PARP1 P09874 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPV1 Q8NER1 2/20 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
SCHEMBL5644439 1.00 GAA (0.39) GAATP53TDP1KMT2AMAPT
SCHEMBL3346823 0.85 GAA (0.44) GAATP53KMT2AMAPTTHRB
SCHEMBL3346829 0.85 GAA (0.44) GAATP53KMT2AMAPTTHRB
SCHEMBL3408405 0.83 TP53 (0.42) GAATP53KMT2AMAPTTHRB
SCHEMBL3408398 0.83 TP53 (0.42) GAATP53KMT2AMAPTTHRB
SCHEMBL4716021 0.80 TP53 (0.43) GAATP53TDP1KMT2AMAPT
SCHEMBL3342759 0.80 TP53 (0.43) GAATP53TDP1KMT2AMAPT
SCHEMBL3342748 0.80 TP53 (0.43) GAATP53TDP1KMT2AMAPT
SCHEMBL3343284 0.76 TP53 (0.43) GAATP53KMT2AMAPTTHRB
SCHEMBL3343289 0.76 TP53 (0.43) GAATP53KMT2AMAPTTHRB

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-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US claimed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US claimed

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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B GAA 29/4885TP53 4815/4885TDP1 1601/4885

“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.