SCHEMBL6080848

SCHEMBL6080848

O=C(NCCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cc2cc(O)ccc2cc1O.O=C(NCCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cc2cc(O)ccc2cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.52
MAOA P21397 2/20 0.52
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1918049 0.92 MAPT (0.49) KDM1AMAPTTP53POLBCA12
SCHEMBL6080869 0.90 POLB (0.55) KDM1AMAOAMAPTTP53POLB
SCHEMBL1918062 0.90 KDM1A (0.55) KDM1AMAOACA12CA1CA2
SCHEMBL1918574 0.87 CA12 (0.49) KDM1AMAPTTP53POLBCA12
SCHEMBL6081213 0.81 MEN1 (0.48) KDM1AMAPTTP53POLBCA12
SCHEMBL1917801 0.81 GSK3B (0.53) KDM1APOLBCA12CA1CA2
SCHEMBL1918086 0.80 POLA1 (0.55) MAPTALDH1A1LMNAGSK3B
SCHEMBL1917291 0.79 KDM1A (0.60) KDM1AMAOAMAPTTP53POLB
SCHEMBL6081150 0.79 TP53 (0.43) MAPTTP53POLBMEN1KMT2A
SCHEMBL1918211 0.78 SYK (0.56) KDM1ACA12CA1CA2CA9

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-20060154933-A1 Inhibitors of Cdc25 phosphatases SCRAS 2006-07-13 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-20060154933-A1 Inhibitors of Cdc25 phosphatases CDC25A, CDC25C, CDC25B KDM1A 1445/4885MAOA 2456/4885MAPT 4147/4885

“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.