SCHEMBL4913342

SCHEMBL4913342

COc1ccc(Br)cc1CSc1cc2ccccc2nc1NCCC1CCCN1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.44
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NMT1 P30419 2/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
TSHR P16473 1/20 0.38
UHRF1 Q96T88 1/20 0.37
CAMK2D Q13557 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MC4R P32245 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 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
SCHEMBL4820885 0.89 ACP1 (0.45) ACP1HRH2HRH1HRH3NMT1
SCHEMBL14027244 0.84 ACP1 (0.44) ACP1HRH2NMT1KDM4EUHRF1
SCHEMBL4823452 0.81 UHRF1 (0.40) ACP1NMT1KDM4EUHRF1CAMK2D
SCHEMBL6743413 0.73 CCR4 (0.44) HRH3KDM4ETSHRMC4R
SCHEMBL4902897 0.73 TSHR (0.39) KDM4ETSHRKMT2AMC4R
SCHEMBL14027591 0.72 KDM4E (0.47) KDM4EMEN1KMT2A
SCHEMBL4816277 0.71 PGK1 (0.50) ACP1KDM4EMEN1KMT2A
SCHEMBL4908228 0.70 SLC2A1 (0.45) HRH3KDM4ETSHRMEN1KMT2A
SCHEMBL3975061 0.70 TLR9 (0.52) ACP1KDM4EUHRF1CAMK2DEPHA2
SCHEMBL14027625 0.69 PGK1 (0.43) KDM4EMC4R

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 ACP1 2983/4885HRH2 662/4885HRH1 760/4885

“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.