SCHEMBL19990127

SCHEMBL19990127

C=CCON1C(=O)N2C[C@H]1C(I)=C[C@@H]2CO

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL19999293 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18115194 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18115196 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18115190 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18115192 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19999284 0.87 ALDH1A1 (0.30) ALDH1A1
SCHEMBL15319801 0.86
SCHEMBL18115188 0.83
SCHEMBL15319884 0.83
SCHEMBL15322516 0.83

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-3277686-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-07-22 EP disclosed
US-10072006-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2018-09-11 US disclosed
US-20180086761-A1 NOVEL 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-10072006-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, PEPD, LCT ALDH1A1 830/4885
US-20180086761-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS NQO1, PEPD, BBOX1 ALDH1A1 1293/4885

“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.