SCHEMBL5452981

SCHEMBL5452981

Cc1ccc2c(c1)nc(NCCCN(C)CCCNC(=O)O)n[n+]2[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 4/20 0.36
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
THRB P10828 1/20 0.36
OPRM1 P35372 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
IDO1 P14902 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 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
SCHEMBL5459984 0.93 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL5461484 0.89 SMN1; SMN2 (0.35) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL7171335 0.86 KDM4E (0.35) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5456913 0.82 IDO1 (0.35) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL2774178 0.80 KCNH2 (0.40) SMN1; SMN2HTTKDM1AEHMT2RCOR1
SCHEMBL6679132 0.79 KDM4E (0.48) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL5455350 0.78 IDO1 (0.40) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL5450923 0.76 IDO1 (0.46) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL5456923 0.76 IDO1 (0.43) ALDH1A1HPGDMAPTTP53SMN1; SMN2
SCHEMBL6676375 0.75 KCNH2 (0.42) KDM4EALDH1A1HPGDTP53SMN1; 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.