SCHEMBL4820900

SCHEMBL4820900

COc1ccc(Br)cc1CSc1nccnc1N1CCOC(CN)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CHEK1 O14757 9/20 0.37
CHEK2 O96017 8/20 0.37
DRD4 P21917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TTK P33981 1/20 0.34
KCNH2 Q12809 1/20 0.34
EPHA2 P29317 1/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34

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
SCHEMBL4157310 0.85 MAPT (0.41) MEN1GAAKMT2ACHEK1CHEK2
SCHEMBL4362577 0.83 KDM4E (0.39) MEN1GAAKMT2AKDM4ETDP1
Hydrochloric Acid SCHEMBL4912058 0.82 KDM4E (0.38) MEN1GAAKMT2AKDM4ETDP1
SCHEMBL4360796 0.79 MEN1 (0.38) MEN1GAAKMT2AKDM4ETDP1
SCHEMBL4370953 0.78 KDM4E (0.41) KDM4ETDP1
SCHEMBL4821421 0.76 MEN1 (0.43) MEN1GAAKMT2AKDM4ETDP1
SCHEMBL4824654 0.75 KDM4E (0.44) GAAKDM4ETDP1
SCHEMBL14027678 0.75 KDM4E (0.42) MEN1KMT2AKDM4ETDP1
SCHEMBL6746297 0.72 SUV39H2 (0.41) DRD4KDM4ETDP1
SCHEMBL14027682 0.71 SMN1; SMN2 (0.41) MEN1KMT2AKDM4ETDP1

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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R MEN1 320/4885GAA 2982/4885KMT2A 1838/4885

“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.