SCHEMBL19873713

SCHEMBL19873713

CCCn1c(=O)c(Br)cn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ ADORA2B P29275 2/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ PGR P06401 1/20 0.38

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
SCHEMBL21900227 0.84 MAPT (0.46) GAAALDH1A1
SCHEMBL19873870 0.82 GAA (0.43) GAA
SCHEMBL19873779 0.81 GAA (0.53) GAAALDH1A1LMNAADORA3PGR
SCHEMBL17870725 0.81 GAA (0.47) GAA
SCHEMBL19873831 0.79 GAA (0.43) GAAALDH1A1
SCHEMBL19873897 0.78 GAA (0.42) GAAALDH1A1LMNA
SCHEMBL17870759 0.74 ADORA2A (0.35) ADORA2BADORA2AALDH1A1LMNAADORA3
SCHEMBL19874013 0.73 ADORA1 (0.36) ADORA2BADORA2AALDH1A1ADORA3ADORA1
SCHEMBL21900257 0.71 GAA (0.46) GAAALDH1A1LMNA
SCHEMBL17870821 0.67 CDK9 (0.42) ADORA2BADORA2AALDH1A1LMNAADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 — — CN disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 — — EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 — — 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 GAA 1335/4885ADORA2B 346/4885ADORA2A 377/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR GAA 1096/4885ADORA2B 326/4885ADORA2A 381/4885

“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.

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