SCHEMBL14620719

SCHEMBL14620719

COc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3n2N)ccc1CN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.53
CD274 Q9NZQ7 2/20 0.53
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EGFR P00533 1/20 0.43
KMT2A Q03164 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MEN1 O00255 1/20 0.42
WNT3A P56704 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL2739953 0.82 PDCD1 (0.51) PDCD1CD274ALDH1A1MAPTSMN1; SMN2
SCHEMBL2740275 0.80 PDCD1 (0.51) PDCD1CD274ALDH1A1HTTLMNA
SCHEMBL2624512 0.78 PDCD1 (0.51) PDCD1CD274ALDH1A1LMNAMAPT
SCHEMBL2740342 0.77 SIRT1 (0.71) PDCD1CD274ALDH1A1HTTLMNA
SCHEMBL2740281 0.76 KDM4E (0.51) PDCD1CD274ALDH1A1HTTLMNA
SCHEMBL2739954 0.74 MEN1 (0.56) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL2740115 0.73 ABCG2 (0.55) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL4263319 0.73 CYP2D6 (0.52) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL2740289 0.73 SIRT1 (0.54) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13470801 0.72 MEN1 (0.53) PDCD1CD274ALDH1A1HTTLMNA

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-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 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-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 PDCD1 3838/4885CD274 4509/4885ALDH1A1 1331/4885

“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.