SCHEMBL1891738

SCHEMBL1891738

O=C(O)c1ccc(Nc2ccnc3ccccc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.75
DNMT3A Q9Y6K1 5/20 0.75
DNMT3L Q9UJW3 2/20 0.75
HDAC3 O15379 1/20 0.75
ACHE P22303 1/20 0.75
HDAC1 Q13547 1/20 0.75
HDAC7 Q8WUI4 1/20 0.75
HDAC2 Q92769 1/20 0.75
HDAC8 Q9BY41 1/20 0.75
HDAC6 Q9UBN7 1/20 0.75
HDAC9 Q9UKV0 1/20 0.75
HDAC5 Q9UQL6 1/20 0.75
ERBB2 P04626 1/20 0.63
MAPKAPK2 P49137 1/20 0.62
NR4A1 P22736 1/20 0.59
ATM Q13315 1/20 0.58
HTT P42858 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.57

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
SCHEMBL29822716 1.00 DNMT1 (0.75) DNMT1DNMT3ADNMT3LHDAC3ACHE
Hydrochloric Acid SCHEMBL1887938 0.99 DNMT1 (0.73) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL5357863 0.90 DNMT1 (0.61) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL12218327 0.87 DNMT1 (0.73) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL31696329 0.87 DNMT1 (0.73) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL13140149 0.86 DNMT1 (0.95) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL12217951 0.86 DNMT1 (0.95) DNMT1DNMT3ADNMT3LHDAC3ACHE
Hydrochloric Acid SCHEMBL27756932 0.86 DNMT1 (0.71) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL12217987 0.85 DNMT1 (0.78) DNMT1DNMT3ADNMT3LHDAC3ACHE
SCHEMBL28238219 0.85 DNMT1 (0.78) DNMT1DNMT3ADNMT3LHDAC3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853670-B Quinoline compound containing amide group and preparation and application thereof 沈阳药科大学 2023-11-21 CN disclosed
CN-114853670-A Amide group-containing quinoline compound and preparation and application thereof 沈阳药科大学 2022-08-05 CN disclosed
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-11-19 US disclosed
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-11-19 US disclosed
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-11-19 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 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 (3 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-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3A 2/4885DNMT3L 3/4885
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3A 2/4885DNMT3L 3/4885
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation APP, BACE1, SNCA DNMT1 4691/4885DNMT3A 4540/4885DNMT3L 4746/4885

“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.