SCHEMBL14027591

SCHEMBL14027591

COc1ccc(Br)cc1CSc1nc2ccccc2nc1NCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT5A Q9NQR1 7/20 0.46
TOP2A P11388 1/20 0.45
PGK1 P00558 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL4816277 0.94 PGK1 (0.50) KDM4ETDP1KMT5APGK1MEN1
SCHEMBL14027625 0.91 PGK1 (0.43) KDM4ETDP1KMT5APGK1
SCHEMBL14027641 0.84 KDM4E (0.50) KDM4ETDP1KMT5APGK1NPSR1
SCHEMBL4820885 0.84 ACP1 (0.45) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4908228 0.83 SLC2A1 (0.45) KDM4EPGK1MEN1KMT2ALMNA
SCHEMBL4825375 0.82 SYK (0.40) KDM4EKMT5AMEN1KMT2ALMNA
SCHEMBL4814121 0.80 FLT3 (0.39) KDM4EKMT5ATOP2AMEN1KMT2A
SCHEMBL4821889 0.80 KDM1A (0.45) KMT5ATOP2AKMT2A
SCHEMBL14027619 0.79 TOP2A (0.46) KDM4EKMT5ATOP2AKMT2ALMNA
SCHEMBL14027631 0.78 MC4R (0.37) KDM4ETDP1MEN1KMT2ANPSR1

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.