SCHEMBL17154372

SCHEMBL17154372

Cc1cc2c(Nc3ccc(N)cc3)c3ccc([N+](=O)[O-])cc3nc2cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GLA P06280 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ACHE P22303 2/20 0.47
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DNMT1 P26358 1/20 0.44
KDM1A O60341 1/20 0.43
GUCY1B2 O75343 1/20 0.43
GUCY1A2 P33402 1/20 0.43
GUCY1A1 Q02108 1/20 0.43
GUCY1B1 Q02153 1/20 0.43

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 0.89 KMT2A (0.62) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL17154459 0.87 KMT2A (0.50) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL17154366 0.86 KMT2A (0.60) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL17154370 0.84 KMT2A (0.49) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL17154392 0.83 KMT2A (0.74) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL17154405 0.81 ACHE (0.46) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL17154442 0.80 KMT2A (0.53) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL17154412 0.78 KMT2A (0.57) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL17154361 0.77 ALDH1A1 (0.49) KMT2AMEN1MAPTMAPK1HTT
SCHEMBL17154382 0.75 ALDH1A1 (0.47) KMT2AMEN1MAPTMAPK1KDM4E

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 KMT2A 1544/4885MEN1 2446/4885MAPT 2621/4885

“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.