SCHEMBL17154382

SCHEMBL17154382

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MITF O75030 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 1/20 0.45
RAB9A P51151 1/20 0.44
NPC1 O15118 1/20 0.42
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
C1R P00736 1/20 0.40
HTT P42858 2/20 0.40
GPR35 Q9HC97 2/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL17154361 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17154381 0.85 ACHE (0.52) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17154359 0.83 KMT2A (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17154388 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4167466 0.79 MAOA (0.56) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL18189948 0.76 MEN1 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17154371 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10076712 0.76 ACHE (0.50) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17154372 0.75 KMT2A (0.50) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30310167 0.74 KMT2A (0.51) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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 2220/4885SMN1; SMN2 4168/4885MAPT 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.