SCHEMBL14428372

SCHEMBL14428372

CN(CCCN)CCCNc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
SLC2A1 P11166 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAD52 P43351 1/20 0.38
RAB9A P51151 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPY1R P25929 1/20 0.37
NPY5R Q15761 1/20 0.37
IDO1 P14902 2/20 0.37
KDM1A O60341 3/20 0.36
EHMT2 Q96KQ7 3/20 0.36
RCOR1 Q9UKL0 2/20 0.36
TRIM58 Q8NG06 2/20 0.35
TSHR P16473 1/20 0.34
TOP2A P11388 1/20 0.34
SCN9A Q15858 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
SCHEMBL6675510 0.86 RAD52 (0.51) POLBKMT2ANPC1SLC2A1APOBEC3A
SCHEMBL7171335 0.85 KDM4E (0.35) RAB9ANPY1RNPY5RKDM1AEHMT2
SCHEMBL14428355 0.85 NPY1R (0.44) ACHENPY1RNPY5RIDO1
SCHEMBL6366253 0.81 TSHR (0.53) BCHEACHEPOLBKMT2ANPC1
SCHEMBL6678946 0.81 NCF1 (0.44) POLBKMT2ANPC1SLC2A1APOBEC3A
SCHEMBL5456923 0.81 IDO1 (0.43) BCHEACHEPOLBKMT2ANPC1
SCHEMBL14428363 0.81 IDO1 (0.47) BCHEACHEIDO1KDM1AEHMT2
SCHEMBL14428384 0.80 BRD4 (0.40) POLBKMT2ARAD52NPY1RNPY5R
SCHEMBL14428375 0.80 CA12 (0.49) BCHEACHEPOLBKMT2ANPC1
SCHEMBL6676039 0.79 RAD52 (0.48) POLBKMT2ARAD52IDO1MEN1

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 BCHE 4294/4885ACHE 4837/4885POLB 109/4885

“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.