SCHEMBL4885683

SCHEMBL4885683

COc1cc(C(C)NC(C)=O)c([N+](=O)[O-])cc1OCCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 3/20 0.41
NPC1 O15118 2/20 0.41
SIRT3 Q9NTG7 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL826033 1.00 HTT (0.42) HTTPOLBCYP3A4NPC1SIRT3
SCHEMBL14407241 0.88 HTT (0.40) HTTPOLBCYP3A4NPC1SIRT3
SCHEMBL19688557 0.87 SIRT3 (0.42) HTTPOLBCYP3A4NPC1SIRT3
SCHEMBL3201584 0.85 SIRT3 (0.47) HTTPOLBCYP3A4NPC1SIRT3
SCHEMBL4886616 0.84 POLB (0.43) HTTPOLBCYP3A4NPC1SIRT3
SCHEMBL14407244 0.84 POLB (0.43) HTTPOLBCYP3A4NPC1SIRT3
SCHEMBL17635774 0.84 SIRT3 (0.39) HTTPOLBCYP3A4NPC1SIRT3
SCHEMBL19688553 0.83 SIRT3 (0.40) HTTPOLBCYP3A4NPC1SIRT3
SCHEMBL27119473 0.83 SIRT3 (0.46) HTTPOLBCYP3A4NPC1SIRT3
SCHEMBL16525302 0.82 SIRT3 (0.39) HTTPOLBCYP3A4NPC1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888619-B1 Compounds modifying apoptosis 2CUREX APS (DK) 2013-04-17 EP disclosed
US-8318717-B2 Tetrapeptide capable of inhibiting binding of the Smac protein to Inhibitors of apoptosis, thus promoting apoptosis or sensitizing cells; antiproliferative and anticarcinogenic agents 2CUREX (DK) 2012-11-27 US disclosed
US-20080194537-A1 Compounds Modifying Apoptosis 2CUREX (DK) 2008-08-14 US disclosed
EP-1888619-A2 COMPOUNDS MODIFYING APOPTOSIS 2cureX ApS (DK) 2008-02-20 EP disclosed
WO-2006128455-A2 COMPOUNDS MODIFYING APOPTOSIS 2CUREX APS (DK) 2006-12-07 WO 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-20080194537-A1 Compounds Modifying Apoptosis API5, BAX, BAD HTT 1538/4885POLB 1772/4885CYP3A4 4747/4885

“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.