SCHEMBL13618356

SCHEMBL13618356

[N-]=[N+]=Nc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)OC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TYMS P04818 10/20 0.38
GRIA2 P42262 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
STAT6 P42226 1/20 0.35
HIF1A Q16665 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL29665023 0.76 TYMS (0.44) MEN1NPC1RAB9AKMT2ATYMS
SCHEMBL7709612 0.76 TYMS (0.51) MEN1NPC1RAB9AKMT2ATYMS
SCHEMBL4084412 0.76 TYMS (0.44) MEN1NPC1RAB9AKMT2ATYMS
SCHEMBL30582767 0.73 MEN1 (0.65) MEN1NPC1RAB9AKMT2ATYMS
SCHEMBL1892650 0.73 MEN1 (0.65) MEN1NPC1RAB9AKMT2ATYMS
SCHEMBL9079255 0.72 TYMS (0.47) MEN1NPC1RAB9AKMT2ATYMS
SCHEMBL30211961 0.71 TYMS (0.51) MEN1KMT2ATYMSALDH1A1CYP3A4
SCHEMBL7709761 0.70 ALDH1A1 (0.60) MEN1NPC1RAB9AKMT2ATYMS
SCHEMBL9338559 0.70 PDE7A (0.39) MEN1NPC1RAB9AKMT2ATYMS
SCHEMBL29099269 0.70 TYMS (0.50) MEN1NPC1RAB9AKMT2ATYMS

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-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2011-06-02 US disclosed
US-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2011-06-02 US disclosed
WO-2009135890-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2009-11-12 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-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF POLRMT, DDX1, DDX18 MEN1 4426/4885NPC1 1729/4885RAB9A 4329/4885

“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.