SCHEMBL4816277

SCHEMBL4816277

COc1ccc(Br)cc1CSc1nc2ccccc2nc1NCCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.50
KMT5A Q9NQR1 11/20 0.48
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACP1 P24666 1/20 0.42
KDM1A O60341 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
RCOR1 Q9UKL0 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
SCHEMBL14027591 0.94 KDM4E (0.47) PGK1KMT5AKDM4ETDP1MEN1
SCHEMBL4908228 0.88 SLC2A1 (0.45) PGK1KDM4EMEN1KMT2A
SCHEMBL14027625 0.87 PGK1 (0.43) PGK1KMT5AKDM4ETDP1
SCHEMBL4825375 0.85 SYK (0.40) KMT5AKDM4EMEN1KMT2A
SCHEMBL4821889 0.83 KDM1A (0.45) KMT5AKMT2AKDM1AEHMT2RCOR1
SCHEMBL4820885 0.83 ACP1 (0.45) KDM4EMEN1KMT2AACP1
SCHEMBL14027619 0.82 TOP2A (0.46) KMT5AKDM4EKMT2AKDM1AEHMT2
SCHEMBL4814121 0.80 FLT3 (0.39) KMT5AKDM4EMEN1KMT2A
SCHEMBL14027641 0.78 KDM4E (0.50) PGK1KMT5AKDM4ETDP1NPSR1
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 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 PGK1 3300/4885KMT5A 1695/4885KDM4E 1351/4885

“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.