Sugi Predict

Sugi Predict / Compounds / SCHEMBL5452898

SCHEMBL5452898

SCHEMBL5452898

CN(CCCNC(=O)c1cccc2ccc(-c3ccncc3)nc12)CCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.39
▸ RAD52 P43351 2/20 0.38
▸ UHRF1 Q96T88 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ SIGMAR1 Q99720 5/20 0.34
▸ TMEM97 Q5BJF2 3/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ AOX1 Q06278 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL5462932 0.94 RAD52 (0.41) TP53RAD52UHRF1ACKR3SIGMAR1
SCHEMBL5455691 0.92 TP53 (0.37) TP53RAD52UHRF1ACKR3AOX1
SCHEMBL5457512 0.92 TP53 (0.37) TP53RAD52UHRF1ACKR3AOX1
SCHEMBL5462998 0.87 CA12 (0.37) RAD52UHRF1CA12CA1CA2
SCHEMBL5452770 0.86 MEN1 (0.43) TP53RAD52SIGMAR1TMEM97OPRM1
SCHEMBL5464983 0.86 CA12 (0.36) RAD52UHRF1CA12CA1CA2
SCHEMBL5452794 0.84 HDAC1 (0.49) TP53RAD52UHRF1SIGMAR1TMEM97
SCHEMBL5452702 0.83 AOX1 (0.41) TP53RAD52ACKR3SIGMAR1TMEM97
SCHEMBL5453247 0.82 RAD52 (0.44) TP53RAD52SIGMAR1TMEM97OPRM1
SCHEMBL14428410 0.81 PARP1 (0.43) TP53RAD52CA12CA1CA2

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 5 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
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 (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 TP53 120/4885RAD52 144/4885UHRF1 1451/4885
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 TP53 137/4885RAD52 1139/4885UHRF1 1482/4885

“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.