SCHEMBL4820254

SCHEMBL4820254

COc1ccc(Br)cc1CSc1nc2ccccc2nc1N1CCC(N2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 2/20 0.47
GAA P10253 1/20 0.47
CCR4 P51679 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 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
SCHEMBL14027623 0.99 GAA (0.47) MAPTSMN1; SMN2THRBGAACCR4
SCHEMBL14027639 0.93 MAPT (0.46) MAPTSMN1; SMN2THRBGAACCR4
SCHEMBL6743413 0.88 CCR4 (0.44) CCR4KDM4ETDP1TSHR
SCHEMBL6745111 0.85 GAA (0.44) MAPTSMN1; SMN2THRBGAAMEN1
SCHEMBL4824654 0.84 KDM4E (0.44) GAACCR4KDM4ETDP1
SCHEMBL4369319 0.84 GAA (0.43) MAPTSMN1; SMN2THRBGAAMEN1
SCHEMBL4823017 0.83 MAPT (0.46) MAPTSMN1; SMN2THRBGAAMEN1
SCHEMBL4816428 0.83 MAPT (0.46) MAPTSMN1; SMN2THRBGAAL3MBTL1
SCHEMBL14027616 0.80 ACHE (0.46) MAPTSMN1; SMN2THRBGAAMEN1
SCHEMBL14027594 0.79 AURKA (0.48) MAPTSMN1; SMN2THRBKMT2AKDM4E

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 6 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

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 3726/4885SMN1; SMN2 3087/4885THRB 78/4885

“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.