SCHEMBL2774178

SCHEMBL2774178

Cc1ccc2c(c1)nc(NCCN(C)C)n[n+]2[O-]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
NCF1 P14598 2/20 0.39
RAD52 P43351 2/20 0.38
POLB P06746 1/20 0.38
SMARCA2 P51531 1/20 0.38
DNM2 P50570 7/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 2/20 0.34
SLC2A1 P11166 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34

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
SCHEMBL2777536 0.91 KCNH2 (0.40) KCNH2NCF1RAD52POLBSMARCA2
SCHEMBL6676375 0.87 KCNH2 (0.42) KCNH2POLBHTTSMN1; SMN2
SCHEMBL6677689 0.86 KCNH2 (0.35) KCNH2DNM2
SCHEMBL2776366 0.86 SCN9A (0.42) NCF1KDM1ARCOR1EHMT2
SCHEMBL6673922 0.85 DNM2 (0.37) KCNH2NCF1RAD52DNM2KDM1A
SCHEMBL6679132 0.84 KDM4E (0.48) POLBSLC2A1
SCHEMBL6677683 0.84 KCNH2 (0.36) KCNH2NCF1DNM2KDM1ARCOR1
SCHEMBL2776640 0.84 KDM1A (0.42) RAD52POLBKDM1ARCOR1EHMT2
SCHEMBL6679102 0.84 FLT3 (0.39) KCNH2NCF1DNM2KDM1ARCOR1
SCHEMBL6679202 0.83 KCNH2 (0.42) KCNH2NCF1RAD52KDM1ARCOR1

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 6 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-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-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
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 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-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 KCNH2 2400/4885NCF1 100/4885RAD52 2135/4885
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 KCNH2 406/4885NCF1 2134/4885RAD52 1139/4885

“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.