SCHEMBL14428375

SCHEMBL14428375

CN(CCCN)CCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
ACHE P22303 3/20 0.32
BCHE P06276 2/20 0.32
TERT O14746 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
SLC2A1 P11166 1/20 0.31
APOBEC3A P31941 1/20 0.31
RAD52 P43351 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL14428357 0.87 CA12 (0.57) CA12CA1CA2CA9KMT2A
SCHEMBL5455408 0.85 CA12 (0.49) CA12CA1CA2CA9
SCHEMBL5451586 0.84 CA12 (0.55) CA12CA1CA2CA9ACHE
SCHEMBL14428416 0.82 CA12 (0.55) CA12CA1CA2CA9
SCHEMBL6365056 0.81 CA12 (0.49) CA12CA1CA2CA9TERT
SCHEMBL5452818 0.80 CA12 (0.43) CA12CA1CA2CA9NPC1
SCHEMBL14428389 0.80 SIGMAR1 (0.36) CA12CA1CA2CA9
SCHEMBL14428372 0.80 BCHE (0.38) ACHEBCHETERTNPC1POLB
SCHEMBL14428383 0.79 BRD4 (0.36) CA12CA1CA2CA9
SCHEMBL14428354 0.77 CA12 (0.52) CA12CA1CA2CA9BCHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 CA12 1186/4885CA1 661/4885CA2 21/4885

“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.