SCHEMBL5451536

SCHEMBL5451536

Cc1ccc2c(c1)nc(O)n[n+]2[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 4/20 0.36
NQO2 P16083 1/20 0.36
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
TRPA1 O75762 1/20 0.32
KMT2A Q03164 1/20 0.32
PIN1 Q13526 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL5455267 0.86 KDM4E (0.38) KDM4EMAPTCYP1A2NQO2ALDH1A1
SCHEMBL5450019 0.79 MAPT (0.38) KDM4EMAPTCYP1A2NQO2ALDH1A1
SCHEMBL31097103 0.79 ALOX15 (0.35) CYP1A2HTT
SCHEMBL31097104 0.79 ALOX15 (0.35) CYP1A2HTT
SCHEMBL5460331 0.79 ALDH1A1 (0.37) KDM4EMAPTCYP1A2NQO2ALDH1A1
SCHEMBL6675399 0.79 KDM4E (0.39) KDM4EMAPTNQO2
SCHEMBL6673479 0.77 NQO2 (0.34) KDM4EMAPTCYP1A2NQO2ALDH1A1
SCHEMBL5112829 0.76 ESR2 (0.39) KDM4EMAPTALDH1A1HSD17B10USP2
SCHEMBL6679132 0.74 KDM4E (0.48) KDM4EMAPTALDH1A1HSD17B10HPGD
SCHEMBL5457433 0.74 CRHBP (0.37) KDM4EMAPTCYP1A2NQO2ALDH1A1

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 373/4885MAPT 4090/4885CYP1A2 1241/4885

“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.