SCHEMBL3068148

SCHEMBL3068148

C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5cc([N+](=O)[O-])ccc45)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.68
KMT2A Q03164 6/20 0.68
USP2 O75604 2/20 0.68
DNMT1 P26358 7/20 0.54
DNMT3A Q9Y6K1 6/20 0.54
DNMT3L Q9UJW3 3/20 0.54
POLB P06746 4/20 0.54
MAPK1 P28482 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
THRB P10828 1/20 0.54
MCL1 Q07820 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MITF O75030 2/20 0.53
MYC P01106 1/20 0.47
MAP2K3 P46734 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
EHMT1 Q9H9B1 1/20 0.47
DNMT3B Q9UBC3 1/20 0.47
HDAC3 O15379 1/20 0.44

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
SCHEMBL3074475 1.00 MAPT (0.68) MAPTKMT2AUSP2DNMT1DNMT3A
Hydrochloric Acid SCHEMBL1885529 1.00 MAPT (0.68) MAPTKMT2AUSP2DNMT1DNMT3A
SCHEMBL3074479 1.00 MAPT (0.68) MAPTKMT2AUSP2DNMT1DNMT3A
Hydrochloric Acid SCHEMBL1885532 0.99 MAPT (0.67) MAPTKMT2AUSP2DNMT1DNMT3A
Hydrochloric Acid SCHEMBL1887482 0.99 MAPT (0.67) MAPTKMT2AUSP2DNMT1DNMT3A
Hydrochloric Acid SCHEMBL1885531 0.99 MAPT (0.67) MAPTKMT2AUSP2DNMT1DNMT3A
Hydrochloric Acid SCHEMBL1886048 0.94 MAPT (0.61) MAPTKMT2AUSP2DNMT1DNMT3A
SCHEMBL12218117 0.94 MAPT (0.61) MAPTKMT2AUSP2DNMT1DNMT3A
SCHEMBL12218062 0.93 MAPT (0.79) MAPTKMT2AUSP2DNMT1DNMT3A
Hydrochloric Acid SCHEMBL1884322 0.93 MAPT (0.79) MAPTKMT2AUSP2DNMT1DNMT3A

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-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-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-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-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
WO-2009049132-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 WO 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 MAPT 3156/4885KMT2A 28/4885USP2 1469/4885
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MAPT 3156/4885KMT2A 28/4885USP2 1469/4885
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MAPT 3156/4885KMT2A 28/4885USP2 1469/4885
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MAPT 3156/4885KMT2A 28/4885USP2 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.