SCHEMBL4822674

SCHEMBL4822674

FC(F)(F)c1ccc(CSc2ccccc2C2=NCCCN2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
NISCH Q9Y2I1 4/20 0.44
ALOX15B O15296 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.39
TP53 P04637 1/20 0.37
TOP2A P11388 1/20 0.37

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
SCHEMBL4061880 0.90 NISCH (0.43) NISCHALOX15BL3MBTL1GAATSHR
SCHEMBL4824046 0.88 NISCH (0.47) MAPTNISCHGAATSHR
SCHEMBL4070947 0.87 NISCH (0.47) MAPTNISCHL3MBTL1GAATSHR
SCHEMBL4070724 0.86 NISCH (0.51) NISCHL3MBTL1GAATSHR
Bromide SCHEMBL4909528 0.85 NISCH (0.50) NISCHL3MBTL1GAATSHR
SCHEMBL4821696 0.84 NISCH (0.47) NISCHALOX15BL3MBTL1MAOBGAA
SCHEMBL4825348 0.84 NISCH (0.52) NISCHGAATSHRTOP2A
SCHEMBL4067383 0.84 NISCH (0.40) NISCHGAATSHR
SCHEMBL4819238 0.82 SMN1; SMN2 (0.50) MAPTNISCHMAOBGAATSHR
SCHEMBL4818428 0.81 NISCH (0.47) MAPTNISCHGAATSHRTP53

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 3726/4885NISCH 1934/4885ALOX15B 1498/4885

“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.