SCHEMBL6516573

SCHEMBL6516573

O=C(NC(COC(=O)CCCO[N+](=O)[O-])Cc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 2/20 0.39
MGLL Q99685 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6516567 1.00 KMT2A (0.41) KMT2AMEN1CYP1A2NPC1TP53
SCHEMBL6516559 1.00 KMT2A (0.41) KMT2AMEN1CYP1A2NPC1TP53
SCHEMBL12846586 0.89 KMT2A (0.40) KMT2AMEN1CYP1A2NPC1TP53
SCHEMBL3310051 0.82 ATM (0.51) CYP3A4
SCHEMBL3310047 0.82 ATM (0.51) CYP3A4
SCHEMBL3310054 0.82 ATM (0.51) CYP3A4
SCHEMBL6521430 0.76 MGLL (0.58) KMT2AMEN1MAPTALDH1A1MGLL
SCHEMBL2318778 0.73 MEN1 (0.51) KMT2AMEN1CYP1A2NPC1TP53
SCHEMBL1219646 0.73 MEN1 (0.53) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL3404531 0.73 MEN1 (0.53) KMT2AMEN1NPC1TP53RAB9A

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-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 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-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT KMT2A 3841/4885MEN1 4297/4885CYP1A2 114/4885

“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.