SCHEMBL5452794

SCHEMBL5452794

CN(CCCNC(=O)c1cccc2cc3ccccc3nc12)CCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
AOX1 Q06278 1/20 0.46
RAD52 P43351 5/20 0.41
UHRF1 Q96T88 1/20 0.40
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
SMARCA2 P51531 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
APP P05067 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5455213 0.93 AOX1 (0.49) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL5455304 0.93 HDAC1 (0.54) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL5455149 0.93 HDAC1 (0.46) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL5463093 0.93 HDAC1 (0.46) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL5452702 0.92 AOX1 (0.41) HDAC1HDAC6AOX1RAD52TMEM97
SCHEMBL5457429 0.92 HDAC1 (0.58) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL5453247 0.91 RAD52 (0.44) HDAC1HDAC6AOX1RAD52TMEM97
SCHEMBL5458016 0.91 HDAC1 (0.52) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL5469483 0.90 HDAC1 (0.51) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL5467865 0.89 RAD52 (0.42) HDAC1HDAC6AOX1RAD52TMEM97

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 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
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 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 (2 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
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 HDAC1 1752/4885HDAC6 3211/4885AOX1 132/4885

“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.