SCHEMBL19866022

SCHEMBL19866022

O=C1c2ccccc2C(=O)c2nc(CCl)c(CCl)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
AHR P35869 1/20 0.53
USP8 P40818 2/20 0.47
USP7 Q93009 1/20 0.47
USP47 Q96K76 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CDC25B P30305 1/20 0.44
APAF1 O14727 2/20 0.43
TDP2 O95551 2/20 0.43
IDO1 P14902 2/20 0.43
DNMT1 P26358 1/20 0.43
DNMT3L Q9UJW3 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL20831967 0.88 MAPT (0.43) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL19868500 0.79 MAPT (0.53) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL29895822 0.76 MAPT (0.59) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL28972029 0.76 MAPT (0.59) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL21074805 0.75 MAPT (0.48) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL19868491 0.73 MAPT (0.47) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL21074799 0.72 NPC1 (0.46) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL29895851 0.71 USP8 (0.62) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL28972075 0.71 USP8 (0.62) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL21074814 0.71 ALDH1A1 (0.41) MAPTRAB9AALDH1A1SMN1; SMN2NPC1

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-3497083-B1 HETEROCYCLIC NAPHTHOQUINONES DERIVATIVES FOR USE IN THE TREATMENT OF CANCERS INCLUDING CUSHING DISEASE COMMISSARIAT ENERGIE ATOMIQUE (FR) 2022-01-19 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
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 (1 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-20190169136-A1 Heterocyclic Naphthoquinones Derivatives for Use in the Treatment of Cancers Including Cushing Disease NEDD8, USP8, USP18 MAPT 3280/4885RAB9A 1292/4885ALDH1A1 1216/4885

“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.