SCHEMBL6523273

SCHEMBL6523273

COC(=O)c1ccc2[nH]c(-c3nc([N+](=O)[O-])cn3C)nc2c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
PARP1 P09874 4/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
HTT P42858 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 3/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32

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
SCHEMBL5559555 0.86 KMT2A (0.34) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5555380 0.78 PKN1 (0.43) PKN1PKN2PARP1ALDH1A1SMN1; SMN2
SCHEMBL13255445 0.78 PARP1 (0.46) PKN1PKN2PARP1ALDH1A1SMN1; SMN2
SCHEMBL5559247 0.78 BRD4 (0.44) PKN1PKN2KMT2AMEN1ALDH1A1
SCHEMBL15233334 0.76 BRD4 (0.52) PKN1PKN2KMT2AMEN1ALDH1A1
SCHEMBL7470356 0.70 TDP1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8604250 0.68 HSP90AA1 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5561903 0.68 DHODH (0.38) PKN1PKN2PARP1KDM4ETUBB4A
SCHEMBL5553861 0.68 MEN1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5313447 0.66 MITF (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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-8524899-B2 Oligopeptide containing fused 6-membered ring forming complexes with double stranded dna; complexes can be used for identification of specific dsDNA sequences, inhibiting gene transcription, therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific gene CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-09-03 US disclosed
EP-1599474-B1 Heterocyclic oligomeric compounds for DNA recognition CALIFORNIA INST OF TECHN (US) 2013-04-24 EP disclosed
US-20050026174-A1 Alternative heterocycles for DNA recognition CALIFORNIA INSTITUTE OF TECHNOLOGY 2005-02-03 US 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-20050026174-A1 Alternative heterocycles for DNA recognition DDB1, PCNA, DNA2 PKN1 2736/4885PKN2 2911/4885PARP1 1048/4885

“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.