SCHEMBL5455041

SCHEMBL5455041

O=C([O-])N(CCCNC(=O)C(F)(F)F)CCCNc1nc2ccccc2[n+](O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CA14 Q9ULX7 1/20 0.35
IDO1 P14902 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
GSTO1 P78417 1/20 0.34
POLB P06746 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPY1R P25929 1/20 0.31
NPY5R Q15761 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CASP6 P55212 2/20 0.30
MMP14 P50281 1/20 0.30

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
SCHEMBL6676529 0.86 IDO1 (0.39) ALDH1A1SMN1; SMN2GLAHPGDIDO1
SCHEMBL6679514 0.84 TSHR (0.37) ALDH1A1HPGDIDO1NPC1RAB9A
SCHEMBL5455035 0.83 IDO1 (0.41) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL5450895 0.82 CA12 (0.37) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL5456923 0.80 IDO1 (0.43) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL5456625 0.79 IDO1 (0.48) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL5450928 0.79 SIRT5 (0.38) IDO1POLBMEN1KMT2ACASP6
SCHEMBL5449949 0.74 IDO1 (0.39) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL5456913 0.72 IDO1 (0.35) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL6676526 0.71 IDO1 (0.41) ALDH1A1SMN1; SMN2GLAHPGDIDO1

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 ALDH1A1 709/4885SMN1; SMN2 4159/4885GLA 3568/4885

“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.