SCHEMBL3499609

SCHEMBL3499609

CC(=O)c1cc(Nc2cc(C)[n+](C)c(N)n2)cc(C(C)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.36
DNMT3L Q9UJW3 1/20 0.36
DNMT3A Q9Y6K1 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
TYK2 P29597 1/20 0.33
RAD52 P43351 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GPR68 Q15743 1/20 0.32
LMNA P02545 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
Hydrochloric Acid SCHEMBL3497424 0.99 DNMT1 (0.35) DNMT1DNMT3LDNMT3ANPC1RAB9A
Iodide SCHEMBL3498356 0.99 DNMT1 (0.35) DNMT1DNMT3LDNMT3ANPC1RAB9A
SCHEMBL13312577 0.87 MEN1 (0.46) NPC1RAB9AKDM4EGAAMAPT
Iodide SCHEMBL3500716 0.86 NPC1 (0.49) DNMT1DNMT3LDNMT3ANPC1RAB9A
Iodide SCHEMBL3501443 0.86 ROCK1 (0.46) NPC1RAB9AGAAMAPTAKR1C3
Iodide SCHEMBL7954665 0.75 AKR1C3 (0.35) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL3500528 0.75 DNMT1 (0.60) DNMT1DNMT3LDNMT3ANPC1RAB9A
Hydrochloric Acid SCHEMBL7944196 0.75 AKR1C3 (0.35) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL3500285 0.70 CYP1A2 (0.47) RAB9AKDM4EMAPTMEN1KMT2A
Iodide SCHEMBL9380644 0.69 ROCK1 (0.52) DNMT1DNMT3LDNMT3ANPC1RAB9A

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
EP-0865434-B1 COMPOUNDS AND THEIR USE TO TREAT INFECTIOUS DISEASES PICOWER INST MED RES (US) 2003-12-17 EP claimed
US-20100137566-A1 Compounds and Methods Used to Treat Infectious Diseases CYTOKINE PHARMASCIENCES, INC (US) 2010-06-03 US disclosed
US-20100137566-A1 Compounds and Methods Used to Treat Infectious Diseases CYTOKINE PHARMASCIENCES, INC (US) 2010-06-03 US disclosed
US-20060014760-A1 Compounds and methods of use to treat infectious diseases BUKRINSKY MICHAEL I 2006-01-19 US disclosed
US-6906076-B2 Compounds and methods of use to treat infectious diseases CYTOKINE PHARMASCIENCES, INC. (US) 2005-06-14 US disclosed
US-20040053815-A1 Compounds and methods of use to treat infectious diseases FERRING BV (NL) 2004-03-18 US disclosed
US-6649797-B2 Contacting protein with a compound that is capable of stable reversible binding with basic amino acid residues of nuclear localization signal of protein for inactivating a nuclear localization signal of a protein THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2003-11-18 US disclosed
US-20020077271-A1 Compounds and methods of use to treat infectious diseases FERRING BV (NL) 2002-06-20 US disclosed
US-6297253-B1 INACTIVATING A NUCLEAR LOCALIZATION SIGNAL OF A PROTEIN COMPRISING CONTACTING THE PROTEIN WITH AN ARYL CARBONYL COMPOUND THAT FORMS STABLE REVERSIBLE COVALENT INTERACTIONS WITH NEIGHBORING BASIC AMINO ACID RESIDUES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2001-10-02 US disclosed
WO-1998016515-A1 COMPOUNDS AND METHODS TO TREAT INFECTIOUS DISEASES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-04-23 WO 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 (4 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-20060014760-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 DNMT1 2539/4885DNMT3L 2834/4885DNMT3A 3537/4885
US-20100137566-A1 Compounds and Methods Used to Treat Infectious Diseases KPNA1, NFATC1, MAVS DNMT1 2519/4885DNMT3L 2991/4885DNMT3A 3582/4885
US-20020077271-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 DNMT1 2539/4885DNMT3L 2834/4885DNMT3A 3537/4885
US-20040053815-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 DNMT1 2539/4885DNMT3L 2834/4885DNMT3A 3537/4885

“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.