SCHEMBL4823673

SCHEMBL4823673

COc1ccc(Br)cc1CSc1ccccc1CN1CCN(CCOCCO)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 6/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.44
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 2/20 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
SCHEMBL4821902 0.86 KDM4E (0.44) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL4360885 0.86 KDM4E (0.55) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL4009569 0.82 KDM4E (0.70) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL14027690 0.82 KDM4E (0.51) KDM4ETDP1KMT2AMEN1
SCHEMBL4816458 0.81 KDM4E (0.58) SMN1; SMN2KDM4ETDP1ALDH1A1KMT2A
SCHEMBL4010830 0.81 KDM4E (0.54) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL4357877 0.81 KDM4E (0.54) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL14181856 0.79 MAPT (0.42) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL4825270 0.78 KMT2A (0.54) KDM4ETDP1ALDH1A1KMT2AMEN1
SCHEMBL14027682 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ETDP1KMT2AMEN1

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 SMN1; SMN2 3087/4885KDM4E 1351/4885TDP1 4856/4885

“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.