SCHEMBL17154381

SCHEMBL17154381

O=[N+]([O-])c1ccc2c(Cl)c3ccc([N+](=O)[O-])cc3nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
HSD17B10 Q99714 1/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
C1R P00736 2/20 0.48
KMT2A Q03164 3/20 0.48
OPRK1 P41145 1/20 0.48
MEN1 O00255 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
NQO2 P16083 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
MITF O75030 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
SCHEMBL17154359 0.93 KMT2A (0.54) ACHEHSD17B10TXNRD1TXNRD3TXNRD2
SCHEMBL4167466 0.92 MAOA (0.56) ACHEC1RKMT2AOPRK1MEN1
SCHEMBL17154382 0.85 ALDH1A1 (0.47) ACHEC1RKMT2AMEN1RAB9A
SCHEMBL18189948 0.83 MEN1 (0.49) KMT2AMEN1RAB9AMAPTNQO2
SCHEMBL18631804 0.82 KMT2A (0.47) ACHEC1RKMT2AOPRK1MEN1
SCHEMBL4155707 0.82 ACHE (0.45) ACHEKMT2AMEN1RAB9AMAPT
SCHEMBL4155709 0.82 KMT2A (0.54) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL4163828 0.82 KMT2A (0.59) ACHEKMT2AOPRK1MEN1RAB9A
SCHEMBL17154408 0.81 ACHE (0.64) ACHETXNRD1TXNRD3TXNRD2KMT2A
SCHEMBL17154388 0.81 ALDH1A1 (0.46) ACHEC1RKMT2AOPRK1MEN1

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 3797/4885HSD17B10 2513/4885TXNRD1 2439/4885

“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.