SCHEMBL4909495

SCHEMBL4909495

COc1ccc(Br)cc1CSc1ccccc1CC1CNCCN1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MC4R P32245 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4370819 0.78 SLC6A4 (0.41) TACR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL14027319 0.78 SLC6A4 (0.41) TACR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL5557603 0.78 SLC6A2 (0.45) TACR1SLC6A2SLC6A4KCNH2
SCHEMBL5557599 0.78 SLC6A2 (0.45) TACR1SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4909632 0.78 SLC6A4 (0.40) TACR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL5768017 0.78 TACR1 (0.47) TACR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4361732 0.77 TACR1 (0.46) TACR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL14027321 0.77 TACR1 (0.46) TACR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL14181787 0.77 TACR1 (0.46) TACR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4160343 0.77 TACR1 (0.42) TACR1KDM4EMEN1ALDH1A1KMT2A

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 1 patent. 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

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 TACR1 180/4885MAPT 3726/4885KDM4E 1351/4885

“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.