SCHEMBL5559865

SCHEMBL5559865

COC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cn3C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
IRAK4 Q9NWZ3 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
RHEB Q15382 1/20 0.43
LMNA P02545 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NPBWR1 P48145 2/20 0.42
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 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
SCHEMBL15233046 0.92 IRAK4 (0.54) MEN1KMT2APOLBMAPTIRAK4
SCHEMBL5333969 0.88 CHEK2 (0.47) MEN1KMT2APOLBMAPTNPC1
SCHEMBL7465986 0.83 KMT2A (0.50) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL14224669 0.82 MEN1 (0.49) MEN1KMT2APOLBMAPTNPC1
SCHEMBL8610747 0.81 NPBWR1 (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5559247 0.81 BRD4 (0.44) MEN1KMT2APOLBMAPTIRAK4
SCHEMBL7471355 0.80 MAPT (0.43) MEN1KMT2APOLBMAPTNPC1
SCHEMBL7473157 0.80 MAPT (0.43) MEN1KMT2APOLBMAPTIRAK4
SCHEMBL8601035 0.80 KMT2A (0.43) MEN1KMT2APOLBMAPTNPC1
SCHEMBL7477278 0.80 MAPT (0.42) MEN1KMT2APOLBMAPTNPC1

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 9 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
EP-1599474-A4 ALTERNATIVE HETEROCYCLES FOR DNA RECOGNITION CALIFORNIA INST OF TECHN (US) 2007-08-22 EP disclosed
EP-1599474-A2 ALTERNATIVE HETEROCYCLES FOR DNA RECOGNITION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-11-30 EP disclosed
US-20050026174-A1 Alternative heterocycles for DNA recognition CALIFORNIA INSTITUTE OF TECHNOLOGY 2005-02-03 US disclosed
WO-2004078943-A2 ALTERNATIVE HETEROCYCLES FOR DNA RECOGNITION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-09-16 WO disclosed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP 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 MEN1 3355/4885KMT2A 3249/4885POLB 34/4885

“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.