SCHEMBL4823936

SCHEMBL4823936

COc1ccc(Br)cc1CSc1ccccc1N

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.45
MC4R P32245 6/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL4007811 0.87 KDM4E (0.46) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4823620 0.86 ALDH1A1 (0.45) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18920757 0.84 KDM4E (0.46) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28239248 0.83 ALDH1A1 (0.53) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4823733 0.82 MEN1 (0.47) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4160348 0.82 SLC6A4 (0.55) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4165566 0.82 SMN1; SMN2 (0.45) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4821326 0.81 SMN1; SMN2 (0.43) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4161772 0.80 CCR5 (0.45) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6745160 0.80 ALDH1A1 (0.54) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2

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 1351/4885MEN1 320/4885ALDH1A1 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.