SCHEMBL5452697

SCHEMBL5452697

COC(=O)CCCNc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
TOP2A P11388 2/20 0.44
LMNA P02545 2/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
PDE5A O76074 1/20 0.39
ELANE P08246 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL29864668 0.89 IDO1 (0.44) IDO1TOP2ALMNAALDH1A1MAPT
SCHEMBL25074716 0.89 IDO1 (0.44) IDO1TOP2ALMNAALDH1A1MAPT
SCHEMBL29864563 0.81 ALDH1A1 (0.43) IDO1TOP2ALMNAALDH1A1MAPT
SCHEMBL25074786 0.81 ALDH1A1 (0.43) IDO1TOP2ALMNAALDH1A1MAPT
SCHEMBL25208697 0.81 ALDH1A1 (0.45) IDO1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6676039 0.80 RAD52 (0.48) IDO1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL5450923 0.80 IDO1 (0.46) IDO1TOP2AALDH1A1MAPTKDM4E
SCHEMBL25074823 0.80 TOP2A (0.41) TOP2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL6679158 0.79 KCNH3 (0.48) IDO1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5452905 0.79 CA1 (0.50) TOP2ALMNAALDH1A1SMN1; SMN2MAPT

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 2 patents. 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
WO-2004026846-A1 DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-01 WO 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 IDO1 924/4885TOP2A 4/4885LMNA 1858/4885

“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.