SCHEMBL3783700

SCHEMBL3783700

Nc1cc(Nc2cccc(C(=O)Nc3ccc(Nc4ccnc5ccc([N+](=O)[O-])cc45)cc3)c2)nc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 10/20 0.64
DNMT3A Q9Y6K1 6/20 0.64
DNMT3L Q9UJW3 5/20 0.64
EHMT1 Q9H9B1 3/20 0.64
KMT2A Q03164 3/20 0.61
USP2 O75604 2/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
MAPK1 P28482 1/20 0.55
MCL1 Q07820 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MYC P01106 1/20 0.54
MAP2K3 P46734 1/20 0.54
EHMT2 Q96KQ7 1/20 0.54
DNMT3B Q9UBC3 1/20 0.54
ROCK1 Q13464 2/20 0.46
BRAF P15056 1/20 0.46

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 SCHEMBL1883263 0.99 DNMT1 (0.63) DNMT1DNMT3ADNMT3LEHMT1KMT2A
Hydrochloric Acid SCHEMBL1886368 0.92 MAPT (0.70) DNMT1DNMT3ADNMT3LEHMT1KMT2A
Hydrochloric Acid SCHEMBL1884373 0.91 DNMT1 (0.75) DNMT1DNMT3ADNMT3LEHMT1KMT2A
SCHEMBL3656997 0.88 DNMT1 (0.70) DNMT1DNMT3ADNMT3LEHMT1KMT2A
Hydrochloric Acid SCHEMBL1888905 0.88 DNMT1 (0.69) DNMT1DNMT3ADNMT3LEHMT1KMT2A
SCHEMBL12240490 0.86 DNMT1 (0.83) DNMT1DNMT3ADNMT3LEHMT1MYC
SCHEMBL13335888 0.86 KMT2A (0.74) DNMT1DNMT3ADNMT3LEHMT1KMT2A
Hydrochloric Acid SCHEMBL1884842 0.86 DNMT1 (0.82) DNMT1DNMT3ADNMT3LEHMT1MYC
Hydrochloric Acid SCHEMBL1889394 0.85 DNMT1 (0.59) DNMT1DNMT3ADNMT3LEHMT1KMT2A
SCHEMBL3709576 0.85 KMT2A (0.54) DNMT1DNMT3ADNMT3LEHMT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
US-7790746-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2010-09-07 US disclosed
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2010-05-27 US disclosed
EP-2174938-A1 Quinoline derivatives for modulating DNA methylation SuperGen, Inc. (US) 2010-04-14 EP disclosed
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-11-19 US disclosed
EP-2078008-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SuperGen, Inc. (US) 2009-07-15 EP disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 US disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 US disclosed
US-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-07-24 US disclosed
WO-2008046085-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-04-17 WO disclosed
WO-2008046085-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-04-17 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-20080175814-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-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3A 2/4885DNMT3L 3/4885
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L DNMT1 1/4885DNMT3A 2/4885DNMT3L 3/4885

“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.