SCHEMBL940755

SCHEMBL940755

COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2nc3ccc([N+](=O)[O-])cc3c(NCc3cccs3)c2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 5/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.39
LMNA P02545 3/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
USP2 O75604 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
CLK4 Q9HAZ1 3/20 0.38

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
SCHEMBL5231317 0.92 ABCG2 (0.38) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL940661 0.88 MAPT (0.45) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL939939 0.88 MAPT (0.41) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL5462036 0.88 KMT2A (0.48) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL939986 0.86 THRB (0.44) KMT2AMAPTMEN1THRBLMNA
SCHEMBL941132 0.77 ACHE (0.41) KMT2AMEN1ALDH1A1HTTTHRB
SCHEMBL941232 0.76 SMN1; SMN2 (0.42) MAPTALDH1A1HTTLMNACYP3A4
SCHEMBL5460979 0.76 ADORA3 (0.46) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL940756 0.75 ADORA3 (0.35) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL940178 0.74 ALDH1A1 (0.41) KMT2AMAPTMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071601-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2011-12-06 US disclosed
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-7799922-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2010-09-21 US disclosed
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2009-10-01 US disclosed
US-7547696-B2 Such as 4-methoxy-N-[6-(morpholin-4-yl)-4-benzylamino-3-cyanoquinolin-2-yl]-benzamide; improved solubility SANOFI-AVENTIS (FR) 2009-06-16 US disclosed
US-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS U.S. LLC (US) 2006-09-21 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-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands ADORA3, ADORA2A, ADORA1 KMT2A 3269/4885MAPT 1043/4885MEN1 1883/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 KMT2A 3269/4885MAPT 1043/4885MEN1 1883/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B KMT2A 3104/4885MAPT 4773/4885MEN1 3756/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B KMT2A 2629/4885MAPT 4709/4885MEN1 3735/4885

“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.