SCHEMBL17154405

SCHEMBL17154405

Cc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(N)cc3)c2c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GUCY1B2 O75343 1/20 0.44
GUCY1A2 P33402 1/20 0.44
GUCY1A1 Q02108 1/20 0.44
GUCY1B1 Q02153 1/20 0.44
DNMT1 P26358 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
JAK2 O60674 1/20 0.40

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
SCHEMBL17154448 0.84 KMT2A (0.62) ACHEKMT2AMEN1MAPTMAPK1
SCHEMBL17154366 0.82 KMT2A (0.60) ACHEKMT2AMEN1MAPTMAPK1
SCHEMBL17154442 0.81 KMT2A (0.53) ACHEKMT2AMEN1MAPTMAPK1
SCHEMBL17154372 0.81 KMT2A (0.50) ACHEKMT2AMEN1MAPTMAPK1
SCHEMBL17154392 0.79 KMT2A (0.74) ACHEKMT2AMEN1MAPTMAPK1
SCHEMBL17154371 0.76 ALDH1A1 (0.48) ACHEKMT2AMEN1MAPTHTT
SCHEMBL17154370 0.76 KMT2A (0.49) ACHEKMT2AMEN1MAPTMAPK1
SCHEMBL17154459 0.74 KMT2A (0.50) ACHEKMT2AMEN1MAPTMAPK1
SCHEMBL17154412 0.74 KMT2A (0.57) ACHEKMT2AMEN1MAPTMAPK1
SCHEMBL17154390 0.71 HTT (0.58) ACHEKMT2AMEN1MAPTMAPK1

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-20170022166-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT MIRX PHARMACEUTICALS LLC (US) 2017-01-26 US disclosed
US-20170022166-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT MIRX PHARMACEUTICALS LLC (US) 2017-01-26 US disclosed
WO-2015153535-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT MiRx Pharmaceuticals, LLC (US) 2015-10-08 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-20170022166-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT TP53, DDX3X, API5 ACHE 3797/4885KMT2A 1544/4885MEN1 2446/4885

“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.