SCHEMBL14027641

SCHEMBL14027641

COc1ccc(Br)cc1CSc1nccnc1NCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KMT5A Q9NQR1 6/20 0.44
HTR2A P28223 1/20 0.42
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PGK1 P00558 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL14027591 0.84 KDM4E (0.47) KDM4ETDP1KMT5ALMNANPSR1
SCHEMBL4823452 0.83 UHRF1 (0.40) KDM4ETDP1
SCHEMBL4823490 0.82 SLC2A1 (0.42) KDM4ETDP1HSD17B10
SCHEMBL4816277 0.78 PGK1 (0.50) KDM4ETDP1KMT5ANPSR1PGK1
SCHEMBL14027675 0.78 POLB (0.36) KDM4ETDP1POLBALDH1A1LMNA
SCHEMBL14027673 0.77 KDM4E (0.37) KDM4ETDP1POLBALDH1A1LMNA
SCHEMBL14027625 0.75 PGK1 (0.43) KDM4ETDP1KMT5APGK1
SCHEMBL14027680 0.75 KDM4E (0.36) KDM4ETDP1POLBALDH1A1LMNA
SCHEMBL4824654 0.72 KDM4E (0.44) KDM4ETDP1ALDH1A1LMNACCR5
SCHEMBL5766953 0.71 CHEK2 (0.39) HTR2AALDH1A1HSD17B10

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 1351/4885TDP1 4856/4885KMT5A 1695/4885

“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.