SCHEMBL4821902

SCHEMBL4821902

COc1ccc(Br)cc1CSc1ccccc1COCCN1CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MC4R P32245 5/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL14027690 0.96 KDM4E (0.51) KDM4ETDP1SIGMAR1KMT2AMC4R
SCHEMBL4823673 0.86 SMN1; SMN2 (0.48) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL4360885 0.82 KDM4E (0.55) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL4009569 0.79 KDM4E (0.70) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL4357877 0.77 KDM4E (0.54) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL4010830 0.77 KDM4E (0.54) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL4007811 0.76 KDM4E (0.46) KDM4ETDP1KMT2AALDH1A1MC4R
SCHEMBL4816458 0.76 KDM4E (0.58) KDM4ETDP1KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL4823620 0.75 ALDH1A1 (0.45) KDM4ETDP1KMT2AALDH1A1MC4R
SCHEMBL4825270 0.75 KMT2A (0.54) KDM4ETDP1KMT2AALDH1A1MEN1

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 KDM4E 1351/4885TDP1 4856/4885SIGMAR1 359/4885

“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.