SCHEMBL19856523

SCHEMBL19856523

O=C1c2ccccc2C(=O)c2oc(CBr)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 3/20 0.55
USP19 O94966 2/20 0.55
WDR48 Q8TAF3 1/20 0.55
UCHL3 P15374 1/20 0.50
USP8 P40818 2/20 0.48
USP2 O75604 1/20 0.48
OTUB1 Q96FW1 1/20 0.48
USP36 Q9P275 1/20 0.48
ELANE P08246 2/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
AHR P35869 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR4A2 P43354 4/20 0.37
USP7 Q93009 1/20 0.37

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
SCHEMBL14129367 0.78 USP1 (0.50) USP1USP19WDR48UCHL3USP8
SCHEMBL7818903 0.74 USP1 (0.60) USP1USP19WDR48UCHL3USP8
SCHEMBL24199862 0.73 USP1 (0.45) USP1USP19WDR48UCHL3USP8
SCHEMBL19865967 0.73 USP1 (0.45) USP1USP19WDR48UCHL3USP8
SCHEMBL16888426 0.72 CYP1A2 (0.44) USP1USP19WDR48UCHL3USP8
SCHEMBL2292267 0.72 ELANE (0.37) ELANECYP1A2CYP3A4CYP2C19NR4A2
SCHEMBL29629183 0.71 USP1 (1.00) USP1USP19WDR48UCHL3USP8
SCHEMBL7808226 0.71 USP1 (1.00) USP1USP19WDR48UCHL3USP8
SCHEMBL19198308 0.71 USP1 (0.57) USP1USP19WDR48UCHL3USP8
SCHEMBL29629184 0.71 USP1 (1.00) USP1USP19WDR48UCHL3USP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306063-B2 Heterocyclic naphthoquinones derivatives for use in the treatment of cancers including Cushing disease COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2022-04-19 US disclosed
EP-3497083-B1 HETEROCYCLIC NAPHTHOQUINONES DERIVATIVES FOR USE IN THE TREATMENT OF CANCERS INCLUDING CUSHING DISEASE COMMISSARIAT ENERGIE ATOMIQUE (FR) 2022-01-19 EP disclosed
EP-3497083-A1 HETEROCYCLIC NAPHTHOQUINONES DERIVATIVES FOR USE IN THE TREATMENT OF CANCERS INCLUDING CUSHING DISEASE Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2019-06-19 EP disclosed
US-20190169136-A1 Heterocyclic Naphthoquinones Derivatives for Use in the Treatment of Cancers Including Cushing Disease COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-06-06 US disclosed
WO-2018029137-A1 HETEROCYCLIC NAPHTHOQUINONES DERIVATIVES FOR USE IN THE TREATMENT OF CANCERS INCLUDING CUSHING DISEASE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-02-15 WO disclosed
EP-3281940-A1 HETEROCYCLIC NAPHTHOQUINONES DERIVATIVES FOR USE IN THE TREATMENT OF CANCERS INCLUDING CUSHING DISEASE COMMISSARIAT À L'ÉNERGIE ATOMIQUE ET AUX ÉNERGIES ALTERNATIVES (FR) 2018-02-14 EP 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-11306063-B2 Heterocyclic naphthoquinones derivatives for use in the treatment of cancers including Cushing disease NEDD8, USP8, USP18 USP1 5/4885USP19 35/4885WDR48 245/4885
US-20190169136-A1 Heterocyclic Naphthoquinones Derivatives for Use in the Treatment of Cancers Including Cushing Disease NEDD8, USP8, USP18 USP1 5/4885USP19 35/4885WDR48 245/4885

“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.