SCHEMBL3722173

SCHEMBL3722173

COC(=O)c1cccc2nc3c(C(=O)OC)ccc(O)c3nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 2/20 0.60
ATM Q13315 1/20 0.60
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
ACHE P22303 1/20 0.44
TOP2A P11388 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
RAD52 P43351 1/20 0.42
SMARCA2 P51531 1/20 0.42
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
PKN1 Q16512 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
SCHEMBL3722178 0.95 KDM4E (0.55) KDM4EKMT2AGAAATMTSHR
SCHEMBL71209 0.87 KDM4E (0.74) KDM4EKMT2AGAAATMTSHR
SCHEMBL3724952 0.87 KDM4E (0.57) KDM4EKMT2AGAAATMTSHR
SCHEMBL13653391 0.83 KMT2A (0.68) KDM4EKMT2AGAAATMTSHR
SCHEMBL24186161 0.81 KDM4E (0.62) KDM4EKMT2AGAAATMTSHR
SCHEMBL3725674 0.81 KMT2A (0.67) KDM4EKMT2AGAAATMTSHR
SCHEMBL16432203 0.81 ALDH1A1 (0.67) KDM4EKMT2AGAALMNAACHE
SCHEMBL3724957 0.81 KDM4E (0.51) KDM4EKMT2AGAATSHRLMNA
SCHEMBL30149921 0.81 KMT2A (0.67) KDM4EKMT2AGAAATMTSHR
SCHEMBL16862269 0.81 KDM4E (0.62) KDM4EKMT2AGAAATMTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228880-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2025-07-17 US disclosed
US-20170266215-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-09-21 US disclosed
US-20100124554-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2010-05-20 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 (3 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-20250228880-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS TXN2, SQOR, LPO KDM4E 3013/4885KMT2A 3971/4885GAA 968/4885
US-20100124554-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS TXN2, SQOR, LPO KDM4E 3013/4885KMT2A 3971/4885GAA 968/4885
US-20170266215-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS TXN2, SQOR, LPO KDM4E 3013/4885KMT2A 3971/4885GAA 968/4885

“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.