SCHEMBL2776366

SCHEMBL2776366

CN(C)CCNc1nc2cc(F)ccc2[n+]([O-])n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.42
FLT3 P36888 4/20 0.39
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
NQO2 P16083 1/20 0.37
KDM1A O60341 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
TDO2 P48775 1/20 0.35
NCF1 P14598 1/20 0.35

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
SCHEMBL6675559 0.86 GRK6 (0.35) SCN9AFLT3
SCHEMBL2774178 0.86 KCNH2 (0.40) KDM1AEHMT2RCOR1NCF1
SCHEMBL6679202 0.84 KCNH2 (0.42) SCN9AKDM1AEHMT2RCOR1NCF1
SCHEMBL2776640 0.82 KDM1A (0.42) SCN9ANQO2KDM1AEHMT2RCOR1
SCHEMBL6679102 0.82 FLT3 (0.39) FLT3KDM1AEHMT2RCOR1NCF1
SCHEMBL6677683 0.82 KCNH2 (0.36) KDM1AEHMT2RCOR1NCF1
SCHEMBL6673922 0.82 DNM2 (0.37) KDM1AEHMT2RCOR1NCF1
SCHEMBL6678946 0.81 NCF1 (0.44) SCN9AKDM1AEHMT2RCOR1NCF1
SCHEMBL2776163 0.81 POLB (0.41) SCN9A
SCHEMBL2777536 0.80 KCNH2 (0.40) KDM1ARCOR1NCF1

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-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 SCN9A 3016/4885FLT3 3285/4885CDC25A 434/4885

“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.