SCHEMBL4823452

SCHEMBL4823452

COc1ccc(Br)cc1CSc1nccnc1NCCC1CCCN1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.40
NMT1 P30419 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
ACP1 P24666 1/20 0.38
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
DRD2 P14416 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CAMK2D Q13557 1/20 0.36

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
SCHEMBL4820885 0.85 ACP1 (0.45) UHRF1NMT1MEN1KMT2ACHRNB4
SCHEMBL14027641 0.83 KDM4E (0.50) KDM4ETDP1
SCHEMBL4913342 0.81 ACP1 (0.44) UHRF1NMT1MEN1KMT2ACHRNB4
SCHEMBL14027244 0.80 ACP1 (0.44) UHRF1NMT1MEN1KMT2ACHRNB4
SCHEMBL4823490 0.80 SLC2A1 (0.42) KDM4ETDP1
SCHEMBL14027675 0.74 POLB (0.36) MEN1KMT2AKDM4ETDP1
SCHEMBL14027673 0.73 KDM4E (0.37) MEN1KMT2AKDM4ETDP1
SCHEMBL14027680 0.72 KDM4E (0.36) MEN1KMT2AKDM4ETDP1
SCHEMBL5766953 0.72 CHEK2 (0.39)
SCHEMBL4362577 0.69 KDM4E (0.39) 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 5 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-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 UHRF1 4696/4885NMT1 2625/4885MEN1 320/4885

“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.