SCHEMBL20008294

SCHEMBL20008294

C=CCON1C(=O)N2C[C@H]1/C(=N\OCC(N)=O)C[C@H]2C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP19A1 P11511 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
SCHEMBL19999938 1.00 KDM4E (0.32) KDM4EALDH1A1CYP19A1
SCHEMBL19999933 0.90 — —
SCHEMBL22873356 0.90 — —
SCHEMBL18117326 0.90 CYP19A1 (0.30) CYP19A1
SCHEMBL22873355 0.89 — —
SCHEMBL19999937 0.89 — —
SCHEMBL19999914 0.88 CYP19A1 (0.33) KDM4EALDH1A1CYP19A1
SCHEMBL19999941 0.84 — —
SCHEMBL18107033 0.84 — —
SCHEMBL22873342 0.84 — —

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
EP-3277685-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2021-01-13 — — EP disclosed
US-10570131-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2020-02-25 — — US disclosed
US-20180086760-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-03-29 — — 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 (2 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-10570131-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, PEPD, LCT KDM4E 3033/4885ALDH1A1 830/4885CYP19A1 801/4885
US-20180086760-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS NQO1, PEPD, LCT KDM4E 3033/4885ALDH1A1 830/4885CYP19A1 801/4885

“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.

Send feedback