SCHEMBL14027673

SCHEMBL14027673

COc1ccc(Br)cc1CSc1nccnc1NCC(C)(C)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
MC4R P32245 4/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 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
SCHEMBL14027680 0.90 KDM4E (0.36) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL14027631 0.82 MC4R (0.37) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL14027675 0.82 POLB (0.36) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL14027641 0.77 KDM4E (0.50) KDM4EALDH1A1HSD17B10TDP1LMNA
SCHEMBL4823490 0.73 SLC2A1 (0.42) KDM4EMAPTHSD17B10TDP1TSHR
SCHEMBL4823452 0.73 UHRF1 (0.40) KDM4EMEN1KMT2ATDP1
SCHEMBL14027628 0.73 MC4R (0.36) KDM4EALDH1A1MAPTHTTMEN1
SCHEMBL5766953 0.73 CHEK2 (0.39) ALDH1A1USP2HSD17B10MC4R
SCHEMBL4370953 0.68 KDM4E (0.41) KDM4EHTTTDP1MC4R
SCHEMBL4362577 0.68 KDM4E (0.39) KDM4EALDH1A1MEN1GAAKMT2A

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-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

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 KDM4E 1351/4885ALDH1A1 3912/4885MAPT 3726/4885

“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.