SCHEMBL17154371

SCHEMBL17154371

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ACHE P22303 1/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
NPBWR1 P48145 3/20 0.40
CYP3A4 P08684 2/20 0.40
OPRK1 P41145 1/20 0.40
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39

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 0.80 ACHE (0.52) ALDH1A1ACHENPC1TDP1KMT2A
SCHEMBL17154359 0.78 KMT2A (0.54) ALDH1A1ACHENPC1KMT2AMEN1
SCHEMBL17154382 0.76 ALDH1A1 (0.47) ALDH1A1ACHETSHRNPC1TDP1
SCHEMBL17154405 0.76 ACHE (0.46) ALDH1A1ACHETDP1KMT2AMEN1
SCHEMBL10076712 0.74 ACHE (0.50) ALDH1A1ACHETSHRNPC1TDP1
SCHEMBL4167466 0.74 MAOA (0.56) ALDH1A1ACHENPC1TDP1KMT2A
SCHEMBL18189948 0.72 MEN1 (0.49) ALDH1A1NPC1KMT2AMEN1SMN1; SMN2
SCHEMBL17154388 0.70 ALDH1A1 (0.46) ALDH1A1ACHETSHRNPC1KMT2A
SCHEMBL30310167 0.69 KMT2A (0.51) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL1225526 0.69 ALDH1A1 (0.71) ALDH1A1TSHRNPC1TDP1KMT2A

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 ALDH1A1 2220/4885ACHE 3797/4885TSHR 4148/4885

“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.