SCHEMBL5452900

SCHEMBL5452900

CCc1nc2ccc(OCCNC(=O)C(F)(F)F)cc2[n+]([O-])n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PDK2 Q15119 1/20 0.35
HCRTR1 O43613 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL5461523 0.89 KDM4E (0.39) ACSS2LMNAMAPK1HIF1AMTNR1A
SCHEMBL5448065 0.86 EGFR (0.39) EGFRERBB2ACSS2LMNAMAPK1
SCHEMBL5459657 0.85 EGFR (0.38) EGFRERBB2ACSS2LMNAMAPK1
SCHEMBL5450956 0.85 EGFR (0.40) EGFRERBB2ACSS2LMNAMAPK1
SCHEMBL6675992 0.78 APP (0.38) LMNAMAPK1HIF1AALDH1A1
SCHEMBL14428388 0.74 BRD4 (0.40) EGFRERBB2MTNR1AMTNR1BSCN9A
SCHEMBL14428433 0.71
SCHEMBL2777464 0.69 FGFR1 (0.40) KDM4EALDH1A1
SCHEMBL5460357 0.68 KDM4E (0.40) LMNAMAPK1MTNR1AMTNR1BKDM4E
SCHEMBL5455225 0.67 TMEM97 (0.38) LMNAALDH1A1MAPT

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 EGFR 1523/4885ERBB2 161/4885ACSS2 3147/4885

“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.