SCHEMBL16745430

SCHEMBL16745430

O=C1C(Cl)=C(C2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.75
DNMT1 P26358 1/20 0.75
DNMT3L Q9UJW3 1/20 0.75
DNMT3A Q9Y6K1 1/20 0.75
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
CDC25B P30305 1/20 0.55
MAPT P10636 6/20 0.52
HTT P42858 6/20 0.52
LMNA P02545 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPK1 P28482 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
TDP2 O95551 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.52
S100A4 P26447 2/20 0.52
APAF1 O14727 2/20 0.52

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
SCHEMBL29881216 1.00 IDO1 (0.75) IDO1DNMT1DNMT3LDNMT3AKMT2A
SCHEMBL16745426 0.87 APAF1 (0.58) IDO1DNMT1DNMT3LDNMT3AKMT2A
SCHEMBL20046946 0.87 IDO1 (0.58) IDO1DNMT1DNMT3LDNMT3AKMT2A
SCHEMBL9627597 0.86 IDO1 (0.62) IDO1DNMT1DNMT3LDNMT3AKMT2A
Dichlon SCHEMBL29360991 0.86 IDO1 (1.00) IDO1DNMT1DNMT3LDNMT3AKMT2A
Dichlon SCHEMBL45723 0.86 IDO1 (1.00) IDO1DNMT1DNMT3LDNMT3AKMT2A
Dichlon SCHEMBL9751236 0.86 IDO1 (1.00) IDO1DNMT1DNMT3LDNMT3AKMT2A
Dichlon SCHEMBL10794085 0.83 IDO1 (0.94) IDO1DNMT1DNMT3LDNMT3AKMT2A
Dichlon SCHEMBL5077878 0.83 IDO1 (0.94) IDO1DNMT1DNMT3LDNMT3AKMT2A
SCHEMBL22413400 0.82 PTPRC (0.67) IDO1DNMT1DNMT3LDNMT3AKMT2A

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-20200283417-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-10 US disclosed
WO-2018067842-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA UNIVERSITY OF MARYLAND, BALTIMORE (US) 2018-04-12 WO disclosed
US-9481662-B2 Seriniquinones, melanoma-specific anticancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-01 US disclosed
US-9481662-B2 Seriniquinones, melanoma-specific anticancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-01 US disclosed
US-20150148314-A1 SERINIQUINONES, MELANOMA-SPECIFIC ANTICANCER AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-28 US disclosed
US-20150148314-A1 SERINIQUINONES, MELANOMA-SPECIFIC ANTICANCER AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-28 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-20150148314-A1 SERINIQUINONES, MELANOMA-SPECIFIC ANTICANCER AGENTS SDHA, KLK3, BRDT IDO1 616/4885DNMT1 1521/4885DNMT3L 643/4885
US-20200283417-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA MCL1, NPM1, ABL1 IDO1 494/4885DNMT1 1810/4885DNMT3L 4444/4885

“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.