SCHEMBL2776570

SCHEMBL2776570

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.39
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.34
NCF1 P14598 1/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
SMARCA2 P51531 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ATAD2 Q6PL18 1/20 0.30

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
SCHEMBL2776266 0.95 CA12 (0.39) CA12CA2CA9CA1CYP2C19
SCHEMBL2776992 0.84 KAT2B (0.41) CA12CA2CA9CA1RAD52
SCHEMBL2776095 0.79 CA12 (0.34) CA12CA2CA9CA1CYP2C19
SCHEMBL3385657 0.78 CA12 (0.56) CA12CA2CA9CA1
SCHEMBL3389399 0.78 CA12 (0.56) CA12CA2CA9CA1HRH3
SCHEMBL3386925 0.77 CA12 (0.55) CA12CA2CA9CA1HRH3
SCHEMBL2774178 0.76 KCNH2 (0.40) HTTSMN1; SMN2KCNH2NCF1POLB
SCHEMBL15024629 0.76 CA12 (0.37) CA12CA2CA9CA1ALDH1A1
SCHEMBL3384935 0.76 CA12 (0.42) CA12CA2CA9CA1
SCHEMBL5456742 0.76 CA14 (0.36) CA12CA2CA9CA1SMN1; SMN2

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-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 claimed
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

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-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 CA12 871/4885CA2 21/4885CA9 231/4885

“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.