SCHEMBL17154359

SCHEMBL17154359

O=[N+]([O-])c1ccc2c(Cl)c3cc([N+](=O)[O-])ccc3nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
OPRK1 P41145 1/20 0.54
ACHE P22303 2/20 0.48
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
NPC1 O15118 1/20 0.47
APEX1 P27695 1/20 0.46
ELANE P08246 1/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.44
C1R P00736 1/20 0.44
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NLRP3 Q96P20 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL17154381 0.93 ACHE (0.52) KMT2AOPRK1ACHETXNRD1TXNRD3
SCHEMBL4167466 0.89 MAOA (0.56) KMT2AOPRK1ACHENPC1MEN1
SCHEMBL4163828 0.89 KMT2A (0.59) KMT2AOPRK1ACHENPC1ELANE
SCHEMBL18189948 0.86 MEN1 (0.49) KMT2ANPC1MEN1ALDH1A1KDM4E
SCHEMBL23458119 0.84 KMT2A (0.51) KMT2AOPRK1ACHEAPEX1MEN1
SCHEMBL30310167 0.83 KMT2A (0.51) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL17154382 0.83 ALDH1A1 (0.47) KMT2AACHENPC1MEN1ALDH1A1
SCHEMBL10815968 0.79 ACHE (0.49) KMT2AOPRK1ACHETXNRD1TXNRD3
SCHEMBL18631835 0.79 KMT2A (0.52) KMT2AOPRK1ACHENPC1ELANE
SCHEMBL17154371 0.78 ALDH1A1 (0.48) KMT2AOPRK1ACHETXNRD1TXNRD3

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 1544/4885OPRK1 4860/4885ACHE 3797/4885

“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.