SCHEMBL4823490

SCHEMBL4823490

COc1ccc(Br)cc1CSc1nccnc1NCCCN1CCCCC1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.42
HSD17B10 Q99714 1/20 0.38
CXCR4 P61073 6/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4908228 0.86 SLC2A1 (0.45) SLC2A1HSD17B10HRH3TSHRKDM4E
SCHEMBL14027641 0.82 KDM4E (0.50) HSD17B10KDM4ETDP1
SCHEMBL4823452 0.80 UHRF1 (0.40) KDM4ETDP1
SCHEMBL4824767 0.75 CXCR4 (0.45) SLC2A1CXCR4HRH3CYP1A2CYP2D6
SCHEMBL14027673 0.73 KDM4E (0.37) HSD17B10TSHRKDM4ETDP1MAPT
SCHEMBL4816277 0.72 PGK1 (0.50) KDM4ETDP1
SCHEMBL14027675 0.72 POLB (0.36) HSD17B10TSHRKDM4ETDP1MAPT
SCHEMBL3980630 0.70 KDM4E (0.52) SLC2A1KDM4EMAPT
SCHEMBL14027680 0.70 KDM4E (0.36) HSD17B10TSHRKDM4ETDP1MAPT
SCHEMBL5766953 0.70 CHEK2 (0.39) HSD17B10CYP1A2CYP2D6CYP2C19

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 6 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

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 SLC2A1 2130/4885HSD17B10 1658/4885CXCR4 42/4885

“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.