SCHEMBL3434854

SCHEMBL3434854

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(CNC(=O)N[C@H]2CC[C@@H](c3ccc(C(=O)NCCN4CCCCC4)c(Nc4ccccc4)n3)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.37
LMNA P02545 5/20 0.37
MAPT P10636 3/20 0.37
GSK3A P49840 3/20 0.36
THRB P10828 1/20 0.35
MCHR1 Q99705 2/20 0.35
SRC P12931 1/20 0.34
SYK P43405 1/20 0.34
MAPK14 Q16539 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
MCHR2 Q969V1 1/20 0.34
AXL P30530 1/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
TYRO3 Q06418 2/20 0.33

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
SCHEMBL13190368 0.89 NAMPT (0.45) TP53LMNAMAPTGSK3ATHRB
SCHEMBL13190371 0.85 ATR (0.40) MCHR1MAPK14HTR1ADRD2HTR2A
SCHEMBL480706 0.85 ATR (0.40) MCHR1MAPK14HTR1ADRD2HTR2A
SCHEMBL480705 0.85 ATR (0.40) MCHR1MAPK14HTR1ADRD2HTR2A
SCHEMBL480804 0.85 ATR (0.40) MCHR1MAPK14HTR1ADRD2HTR2A
SCHEMBL3436108 0.83 ACHE (0.42) TP53LMNAMAPTGSK3ATHRB
SCHEMBL13190496 0.83 ACHE (0.42) TP53LMNAMAPTGSK3ATHRB
SCHEMBL480851 0.80 TP53 (0.40) TP53LMNAMAPTGSK3ATHRB
SCHEMBL2119989 0.78 MEN1 (0.43) MCHR1MCHR2
SCHEMBL2119985 0.78 MEN1 (0.43) MCHR1MCHR2

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-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 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-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT TP53 175/4885LMNA 510/4885MAPT 2632/4885

“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.