SCHEMBL5455304

SCHEMBL5455304

O=C(NCCCNc1n[n+]([O-])c2ccccc2[n+]1[O-])c1cccc2cc3ccccc3nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
AOX1 Q06278 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
RAD52 P43351 5/20 0.39
UHRF1 Q96T88 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMARCA2 P51531 1/20 0.35
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTT P42858 2/20 0.34
POLR1A O95602 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL5458016 0.97 HDAC1 (0.52) HDAC1HDAC6AOX1CA12CA1
SCHEMBL5457429 0.97 HDAC1 (0.58) HDAC1HDAC6AOX1CA12CA1
SCHEMBL5452794 0.93 HDAC1 (0.49) HDAC1HDAC6AOX1CA12CA1
SCHEMBL5463231 0.92 HDAC1 (0.48) HDAC1HDAC6AOX1CA12CA1
SCHEMBL5452853 0.90 HDAC1 (0.47) HDAC1HDAC6AOX1CA12CA1
SCHEMBL5455213 0.89 AOX1 (0.49) HDAC1HDAC6AOX1CA12CA1
SCHEMBL5462993 0.88 HDAC1 (0.45) HDAC1HDAC6AOX1CA12CA1
SCHEMBL14428373 0.87 CA12 (0.40) HDAC1HDAC6CA12CA1CA2
Hydrochloric Acid SCHEMBL5461956 0.86 RAD52 (0.40) HDAC1HDAC6CA12CA1CA2
SCHEMBL5455149 0.86 HDAC1 (0.46) HDAC1HDAC6AOX1RAD52UHRF1

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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US disclosed
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US disclosed
WO-2004026846-A1 DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-01 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 HDAC1 1200/4885HDAC6 2421/4885AOX1 404/4885

“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.