SCHEMBL3727451

SCHEMBL3727451

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)Nc1ccc2cc3ccc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc3nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
GLA P06280 1/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
RUNX1 Q01196 1/20 0.48
CBFB Q13951 1/20 0.48
TERT O14746 7/20 0.41
MAP4K4 O95819 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CYP17A1 P05093 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL3727450 1.00 MEN1 (0.48) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL21345205 0.94 MAPT (0.43) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL10092627 0.82 CYP17A1 (0.48) MAP4K4NR1H4CYP17A1MAPKAPK2PSMB8
SCHEMBL14155353 0.82 CYP17A1 (0.48) MAP4K4NR1H4CYP17A1MAPKAPK2PSMB8
SCHEMBL5383433 0.82 MEN1 (0.61) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL3778070 0.81 POLB (0.43) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL3778074 0.81 POLB (0.43) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL13785800 0.81 POLB (0.43) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL21017931 0.81 KDM4E (0.44) NPC1RAB9AKDM4EMAPTGLA
SCHEMBL13293398 0.80 CYP17A1 (0.43) MAP4K4NR1H4CYP17A1GAAALDH1A1

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 2 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 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 1942/4885RAB9A 79/4885

“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.