SCHEMBL15064546

SCHEMBL15064546

CC(C)(C)C1[C@H](Cn2c(-c3ccc(Br)cc3)n[nH]c2=O)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL15064373 0.82 FASN (0.42)
SCHEMBL2355089 0.77 FASN (0.40) ALDH1A1KDM4EGAAHPGDAPOBEC3G
SCHEMBL15064544 0.71 IDO1 (0.46) KDM4EMAPT
SCHEMBL2355152 0.70 FASN (0.42)
SCHEMBL15081806 0.69 ALDH1A1 (0.41) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL15064385 0.69 FASN (0.48)
SCHEMBL5819556 0.69 PPARG (0.44) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL13834741 0.68 ATM (0.42) KDM4EHSD17B10
SCHEMBL15064717 0.68 ALDH1A1 (0.38) ALDH1A1KDM4EGAALMNAHPGD
SCHEMBL16228517 0.67

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-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 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-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 ALDH1A1 671/4885KDM4E 2066/4885GAA 1730/4885

“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.