SCHEMBL3729973

SCHEMBL3729973

CCOC(=O)NC(=N)Nc1ccc2c(c1)C(=O)c1cc(NC(=N)NC(=O)OCC)ccc1-2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TERT O14746 7/20 0.47
PTPRC P08575 2/20 0.46
CTSL P07711 1/20 0.46
PTPN13 Q12923 1/20 0.46

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
SCHEMBL3725859 0.83 RAB9A (0.56) MEN1NPC1ALDH1A1CYP1A2POLB
SCHEMBL17656935 0.79 MAPT (0.67) MEN1NPC1ALDH1A1CYP1A2POLB
SCHEMBL11211451 0.77 GAA (0.57) NPC1ALDH1A1POLBCYP2D6MAPT
SCHEMBL11612210 0.71 MAPT (0.63) MEN1NPC1ALDH1A1CYP1A2POLB
SCHEMBL397133 0.71 PTPN1 (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL28455725 0.70 RAB9A (0.55) MEN1NPC1ALDH1A1CYP1A2POLB
SCHEMBL1070746 0.70 GAA (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL22321720 0.69 MAOA (0.83) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL4299908 0.68 ALDH1A1 (0.90) MEN1NPC1ALDH1A1CYP1A2POLB
SCHEMBL11660757 0.68 MAPT (0.69) MEN1NPC1ALDH1A1CYP1A2POLB

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 MEN1 1639/4885NPC1 1942/4885ALDH1A1 4131/4885

“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.