SCHEMBL17154388

SCHEMBL17154388

Cc1c([N+](=O)[O-])ccc2c(Cl)c3ccc([N+](=O)[O-])cc3nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
MITF O75030 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR35 Q9HC97 2/20 0.42
ACHE P22303 2/20 0.41
NPC1 O15118 1/20 0.41
CTSB P07858 1/20 0.41
CTSH P09668 1/20 0.41
RAB9A P51151 1/20 0.40
C1R P00736 1/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 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 0.81 ACHE (0.52) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL17154382 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL18631804 0.77 KMT2A (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL17154359 0.76 KMT2A (0.54) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL17154370 0.76 KMT2A (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL4167466 0.75 MAOA (0.56) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL10076712 0.75 ACHE (0.50) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL17154361 0.71 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL18189948 0.70 MEN1 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL17154371 0.70 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1

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 4168/4885KMT2A 1544/4885

“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.