SCHEMBL19856524

SCHEMBL19856524

O=C1c2ccccc2C(=O)c2ncc(CCl)cc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MAOB P27338 6/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.40
CDC25B P30305 1/20 0.40
PTPRC P08575 1/20 0.40
PKM P14618 1/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL19868510 0.83 KMT2A (0.50) KMT2AMAOBNPC1RAB9AALDH1A1
SCHEMBL707684 0.74 NPC1 (0.66) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL7807992 0.74 KMT2A (0.54) KMT2AMAOBNPC1RAB9AALDH1A1
SCHEMBL8917379 0.74 KMT2A (0.86) KMT2AMAOBNPC1RAB9AALDH1A1
SCHEMBL2333074 0.72 ALOX15 (0.31)
SCHEMBL2514710 0.72 ALOX15 (0.31)
SCHEMBL6598063 0.71 NPC1 (0.41) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL19865965 0.70 KMT2A (0.50) KMT2AMAOBNPC1RAB9AALDH1A1
Anthraquinone SCHEMBL27995581 0.69 MEN1 (0.75) KMT2AMAOBNPC1RAB9AALDH1A1
SCHEMBL19866022 0.67 MAPT (0.53) KMT2AMAOBNPC1RAB9AALDH1A1

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 10 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-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
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
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
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 KMT2A 1362/4885MAOB 2106/4885NPC1 575/4885
US-20190169136-A1 Heterocyclic Naphthoquinones Derivatives for Use in the Treatment of Cancers Including Cushing Disease NEDD8, USP8, USP18 KMT2A 1362/4885MAOB 2106/4885NPC1 575/4885

“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.