SCHEMBL3110732

SCHEMBL3110732

COc1ccc(CNc2nc(CNC(=O)OC(C)(C)C)nc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.57
SLC2A1 P11166 1/20 0.52
ACHE P22303 2/20 0.52
USP1 O94782 1/20 0.52
WDR48 Q8TAF3 1/20 0.52
POLB P06746 2/20 0.51
EGFR P00533 2/20 0.51
NR2F2 P24468 1/20 0.51
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BRD4 O60885 1/20 0.47
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL3117073 0.89 APP (0.50) APPSLC2A1ACHEUSP1WDR48
SCHEMBL3125996 0.89 APP (0.50) APPSLC2A1ACHEUSP1WDR48
SCHEMBL3118947 0.89 APP (0.50) APPSLC2A1ACHEUSP1WDR48
SCHEMBL3118940 0.88 APP (0.59) APPSLC2A1ACHEUSP1WDR48
SCHEMBL3116080 0.86 APP (0.57) APPSLC2A1ACHEUSP1WDR48
SCHEMBL3124576 0.85 ACHE (0.49) APPSLC2A1ACHEUSP1WDR48
SCHEMBL3123122 0.84 APP (0.55) APPSLC2A1ACHEUSP1WDR48
SCHEMBL3119160 0.81 APP (0.70) APPSLC2A1ACHEUSP1WDR48
SCHEMBL3110583 0.81 APP (0.70) APPSLC2A1ACHEUSP1WDR48
SCHEMBL92685 0.81 APP (0.73) APPSLC2A1ACHEUSP1WDR48

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 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 (2 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX APP 2989/4885SLC2A1 2605/4885ACHE 3180/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3261/4885SLC2A1 2886/4885ACHE 3329/4885

“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.