SCHEMBL4823675

SCHEMBL4823675

COc1ccc(Br)cc1CSc1nc2ccccc2nc1N1CCN(CCCN2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
S1PR2 O95136 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL14027620 0.88 SIGMAR1 (0.48) MAPTALDH1A1KDM4E
SCHEMBL14027594 0.86 AURKA (0.48) MAPTSMN1; SMN2ALDH1A1KMT2ATHRB
SCHEMBL14181856 0.85 MAPT (0.42) MAPTTP53SMN1; SMN2HTTALDH1A1
SCHEMBL4821421 0.85 MEN1 (0.43) SMN1; SMN2LMNAHTTGAAMEN1
SCHEMBL4823017 0.84 MAPT (0.46) MAPTTP53SMN1; SMN2GAAMEN1
SCHEMBL4816428 0.81 MAPT (0.46) MAPTTP53SMN1; SMN2GAATHRB
SCHEMBL14027616 0.80 ACHE (0.46) MAPTTP53SMN1; SMN2LMNAHTT
SCHEMBL14027637 0.80 MAPT (0.41) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL14027639 0.79 MAPT (0.46) MAPTTP53SMN1; SMN2GAAMEN1
SCHEMBL6745111 0.79 GAA (0.44) MAPTTP53SMN1; SMN2POLBGAA

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 MAPT 3726/4885TP53 4535/4885SMN1; SMN2 3087/4885

“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.