SCHEMBL4908228

SCHEMBL4908228

COc1ccc(Br)cc1CSc1nc2ccccc2nc1NCCCN1CCCCC1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.45
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PGK1 P00558 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4816277 0.88 PGK1 (0.50) KDM4EMEN1KMT2APGK1
SCHEMBL4823490 0.86 SLC2A1 (0.42) SLC2A1HRH3HSD17B10KDM4ETSHR
SCHEMBL14027591 0.83 KDM4E (0.47) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL4820885 0.81 ACP1 (0.45) HRH3KDM4ETSHRMAPTGAA
SCHEMBL4825375 0.80 SYK (0.40) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4821889 0.79 KDM1A (0.45) SLC2A1ALDH1A1MAPK1KMT2A
SCHEMBL14027625 0.78 PGK1 (0.43) KDM4ECYP3A4PGK1
SCHEMBL14027619 0.77 TOP2A (0.46) SLC2A1KDM4ETSHRLMNAGAA
SCHEMBL4814121 0.75 FLT3 (0.39) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL14027631 0.75 MC4R (0.37) ALDH1A1HSD17B10KDM4EHPGDTSHR

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-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 SLC2A1 2130/4885HRH3 419/4885ALDH1A1 3912/4885

“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.