SCHEMBL3067753

SCHEMBL3067753

C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccc(N)cc45)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 10/20 0.64
DNMT3A Q9Y6K1 7/20 0.57
DNMT3L Q9UJW3 4/20 0.57
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
USP2 O75604 2/20 0.56
EHMT1 Q9H9B1 2/20 0.53
MYC P01106 1/20 0.53
MAP2K3 P46734 1/20 0.53
EHMT2 Q96KQ7 1/20 0.53
DNMT3B Q9UBC3 1/20 0.53
POLB P06746 3/20 0.48
MAPK9 P45984 1/20 0.47
MAPK14 Q16539 1/20 0.47
HDAC3 O15379 1/20 0.47
ACHE P22303 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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 SCHEMBL1881736 1.00 DNMT1 (0.64) DNMT1DNMT3ADNMT3LMAPTKMT2A
SCHEMBL3067756 1.00 DNMT1 (0.64) DNMT1DNMT3ADNMT3LMAPTKMT2A
Hydrochloric Acid SCHEMBL1883647 0.99 DNMT1 (0.62) DNMT1DNMT3ADNMT3LMAPTKMT2A
SCHEMBL3067043 0.93 DNMT1 (0.58) DNMT1DNMT3ADNMT3LMAPTKMT2A
SCHEMBL3067038 0.93 DNMT1 (0.58) DNMT1DNMT3ADNMT3LMAPTKMT2A
Hydrochloric Acid SCHEMBL1885650 0.93 DNMT1 (0.65) DNMT1DNMT3ADNMT3LMAPTKMT2A
Hydrochloric Acid SCHEMBL1881123 0.93 DNMT1 (0.65) DNMT1DNMT3ADNMT3LMAPTKMT2A
SCHEMBL12218143 0.93 DNMT1 (0.65) DNMT1DNMT3ADNMT3LMAPTKMT2A
SCHEMBL3066598 0.93 DNMT1 (0.65) DNMT1DNMT3ADNMT3LMAPTKMT2A
Hydrochloric Acid SCHEMBL1890980 0.93 DNMT1 (0.57) DNMT1DNMT3ADNMT3LMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790746-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2010-09-07 US disclosed
EP-2174938-A1 Quinoline derivatives for modulating DNA methylation SuperGen, Inc. (US) 2010-04-14 EP disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 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 (1 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-20090099106-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.