SCHEMBL2777536

SCHEMBL2777536

Cc1ccc2nc(NCCN(C)C)n[n+]([O-])c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
NCF1 P14598 2/20 0.38
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
SMARCA2 P51531 1/20 0.37
DNM2 P50570 6/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRIM58 Q8NG06 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC2A1 P11166 1/20 0.34
KDM1A O60341 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
SCHEMBL2774178 0.91 KCNH2 (0.40) KCNH2NCF1POLBRAD52SMARCA2
SCHEMBL6673922 0.84 DNM2 (0.37) KCNH2NCF1RAD52DNM2SLC2A1
SCHEMBL6833397 0.84 CRHBP (0.43) POLBRAD52HSD17B10KDM1ARCOR1
SCHEMBL6678946 0.84 NCF1 (0.44) NCF1POLBRAD52SMARCA2RAB9A
SCHEMBL2776366 0.80 SCN9A (0.42) NCF1KDM1ARCOR1
SCHEMBL6933547 0.79 KDM1A (0.44) DNM2KDM1ARCOR1
SCHEMBL6676375 0.79 KCNH2 (0.42) KCNH2POLBKDM4EALDH1A1HPGD
SCHEMBL6679538 0.78 KDM1A (0.43) DNM2KDM1ARCOR1
SCHEMBL6679102 0.78 FLT3 (0.39) KCNH2NCF1DNM2SLC2A1KDM1A
SCHEMBL2776640 0.78 KDM1A (0.42) POLBRAD52HSD17B10KDM1ARCOR1

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-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

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 KCNH2 406/4885NCF1 2134/4885POLB 2836/4885

“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.