SCHEMBL3076947

SCHEMBL3076947

C[n+]1ccc(Nc2cccc(C(=O)Nc3ccc(Nc4ccnc5ccc([N+](=O)[O-])cc45)cc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
MAPT P10636 5/20 0.67
USP2 O75604 2/20 0.67
POLB P06746 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPK1 P28482 2/20 0.60
KDM4E B2RXH2 1/20 0.60
THRB P10828 1/20 0.60
MCL1 Q07820 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
DNMT1 P26358 7/20 0.60
DNMT3A Q9Y6K1 6/20 0.60
DNMT3L Q9UJW3 4/20 0.50
EHMT1 Q9H9B1 2/20 0.50
MAPK14 Q16539 1/20 0.48
MEN1 O00255 3/20 0.47
BRAF P15056 1/20 0.46
MAPKAPK2 P49137 1/20 0.45
BLM P54132 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL3076951 1.00 KMT2A (0.67) KMT2AMAPTUSP2POLBALDH1A1
Hydrochloric Acid SCHEMBL1884267 0.99 KMT2A (0.66) KMT2AMAPTUSP2POLBALDH1A1
SCHEMBL3078719 0.94 DNMT1 (0.61) KMT2AMAPTUSP2POLBALDH1A1
SCHEMBL3078725 0.94 DNMT1 (0.61) KMT2AMAPTUSP2POLBALDH1A1
SCHEMBL12218057 0.93 MAPT (0.70) KMT2AMAPTUSP2POLBALDH1A1
Hydrochloric Acid SCHEMBL1883274 0.93 DNMT1 (0.60) KMT2AMAPTUSP2POLBALDH1A1
Hydrochloric Acid SCHEMBL1890487 0.93 MAPT (0.70) KMT2AMAPTUSP2POLBALDH1A1
Hydrochloric Acid SCHEMBL1884132 0.92 MAPT (0.79) KMT2AMAPTUSP2POLBALDH1A1
Hydrochloric Acid SCHEMBL1884322 0.92 MAPT (0.79) KMT2AMAPTUSP2POLBALDH1A1
SCHEMBL12218062 0.92 MAPT (0.79) KMT2AMAPTUSP2POLBALDH1A1

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 9 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-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
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

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 KMT2A 28/4885MAPT 3156/4885USP2 1469/4885
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L KMT2A 28/4885MAPT 3156/4885USP2 1469/4885
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L KMT2A 28/4885MAPT 3156/4885USP2 1469/4885
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L KMT2A 28/4885MAPT 3156/4885USP2 1469/4885

“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.