SCHEMBL17154368

SCHEMBL17154368

Nc1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3cc([N+](=O)[O-])ccc23)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
GLA P06280 2/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ACHE P22303 2/20 0.47
DNMT1 P26358 1/20 0.46
EGFR P00533 1/20 0.44
GFER P55789 1/20 0.43
ATM Q13315 1/20 0.43
GUCY1B2 O75343 1/20 0.42
GUCY1A2 P33402 1/20 0.42

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
SCHEMBL17154360 0.89 KMT2A (0.51) KMT2AKDM4EMEN1GLAMAPT
SCHEMBL17154412 0.88 KMT2A (0.57) KMT2AKDM4EMEN1GLAMAPT
SCHEMBL17154448 0.84 KMT2A (0.62) KMT2AKDM4EMEN1GLAMAPT
SCHEMBL17154390 0.83 HTT (0.58) KMT2AKDM4EMEN1GLAMAPT
SCHEMBL18407158 0.82 KMT2A (0.53) KMT2AKDM4EMEN1GLAMAPT
SCHEMBL17154366 0.80 KMT2A (0.60) KMT2AKDM4EMEN1GLAMAPT
SCHEMBL17154392 0.79 KMT2A (0.74) KMT2AKDM4EMEN1GLAMAPT
SCHEMBL17154434 0.79 ALDH1A1 (0.64) KMT2AKDM4EMEN1GLAMAPT
SCHEMBL17154377 0.77 KDM1A (0.62) KMT2AKDM4EMEN1GLAMAPT
SCHEMBL18407156 0.77 KMT2A (0.49) KMT2AKDM4EMEN1GLAMAPT

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 1544/4885KDM4E 809/4885MEN1 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.