SCHEMBL19873691

SCHEMBL19873691

CC(=O)OCn1cc(Br)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA4 P48058 1/20 0.52
GRIK5 Q16478 1/20 0.52
ALDH1A1 P00352 1/20 0.46
DTYMK P23919 1/20 0.44
SQOR Q9Y6N5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ASAH1 Q13510 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
SCHEMBL13671535 0.87 GRIA1 (0.47) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL23897613 0.82 MAPK1 (0.51) ALDH1A1
SCHEMBL11398926 0.81 LMNA (0.57) GRIA1GRIA2GRIA4GRIK5SQOR
SCHEMBL13377807 0.76 GRIA1 (0.45) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL4160782 0.75 KMT2A (0.64) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL2153060 0.75 GRIA1 (0.60) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL10457858 0.74 UPP1 (0.57) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL4849852 0.74 GRIA1 (0.52) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL9088138 0.73 GRIA1 (0.40) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL19873963 0.73 ADORA2B (0.41) ALDH1A1KMT2AMEN1CYP1A2CYP2C19

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-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 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-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 GRIA1 510/4885GRIA2 585/4885GRIA4 650/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR GRIA1 565/4885GRIA2 655/4885GRIA4 664/4885

“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.