SCHEMBL3725859

SCHEMBL3725859

CCOC(=O)NC(=N)Nc1ccc2c(c1)Cc1cc(NC(=N)NC(=O)OCC)ccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.48
CYP1A2 P05177 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
ADRA2A P08913 1/20 0.47
MAOA P21397 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL3729973 0.83 MEN1 (0.48) RAB9AKMT2ANPC1POLBCYP1A2
SCHEMBL11211451 0.76 GAA (0.57) RAB9ANPC1POLBKDM4EALDH1A1
SCHEMBL3726659 0.74 KMT2A (0.58) RAB9AKMT2ANPC1POLBCYP1A2
SCHEMBL11657866 0.74 RAB9A (0.63) RAB9AKMT2ANPC1POLBCYP1A2
SCHEMBL21765857 0.72 RAB9A (1.00) RAB9AKMT2ANPC1POLBCYP1A2
SCHEMBL2000310 0.70 BAZ2B (0.55) RAB9AKMT2ANPC1POLBCYP1A2
SCHEMBL397133 0.70 PTPN1 (0.49) RAB9ANPC1HPGD
SCHEMBL6240743 0.70 RAB9A (0.46) RAB9AKMT2ANPC1POLBCYP1A2
SCHEMBL2962505 0.70 MAOA (0.84) RAB9AKMT2ANPC1POLBCYP1A2
SCHEMBL3730062 0.70 KMT2A (0.62) RAB9AKMT2ANPC1POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825279-B2 Fused ring dicationic anti-protozoan agents and their prodrugs THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-11-02 US claimed
US-20050165044-A1 Fused ring dicationic anti-protozoan agents and their prodrugs BOYKIN DAVID W (US) 2005-07-28 US claimed
US-7825279-B2 Fused ring dicationic anti-protozoan agents and their prodrugs THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-11-02 US disclosed
US-20050165044-A1 Fused ring dicationic anti-protozoan agents and their prodrugs BOYKIN DAVID W (US) 2005-07-28 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-20050165044-A1 Fused ring dicationic anti-protozoan agents and their prodrugs DHODH, DHFR, PAICS RAB9A 79/4885KMT2A 2150/4885NPC1 1942/4885

“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.