SCHEMBL5459984

SCHEMBL5459984

Cc1ccc2nc(NCCCN(C)CCCNC(=O)O)n[n+]([O-])c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.37
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36
IDO1 P14902 2/20 0.36
KLK7 P49862 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 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
SCHEMBL5452981 0.93 KDM4E (0.38) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL5456913 0.89 IDO1 (0.35) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL5461484 0.82 SMN1; SMN2 (0.35) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL2777536 0.80 KCNH2 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL5455350 0.80 IDO1 (0.40) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL7171335 0.79 KDM4E (0.35) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5450923 0.78 IDO1 (0.46) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL5456923 0.77 IDO1 (0.43) ALDH1A1HPGDMAPTTP53SMN1; SMN2
SCHEMBL14428388 0.74 BRD4 (0.40) BRD4
SCHEMBL6677551 0.73 ALDH1A1 (0.39) KDM4EALDH1A1HPGDMAPTSMN1; SMN2

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 KDM4E 373/4885ALDH1A1 709/4885HPGD 1697/4885

“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.