SCHEMBL4820152

SCHEMBL4820152

N#Cc1ccccc1CSc1ccccc1C1=NCCCN1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
NISCH Q9Y2I1 4/20 0.47
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD11B1 P28845 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL4063573 0.84 NISCH (0.48) NISCHKMT2AGAATSHR
SCHEMBL4819238 0.83 SMN1; SMN2 (0.50) NISCHSMN1; SMN2GAATSHRRAB9A
SCHEMBL4068916 0.81 NISCH (0.48) NISCHKMT2AGAATSHR
SCHEMBL4072876 0.81 NISCH (0.51) NISCHKMT2ASMN1; SMN2GAATSHR
SCHEMBL4072984 0.81 KMT2A (0.64) NISCHKMT2ANPSR1GAATSHR
SCHEMBL4372571 0.81 NISCH (0.54) NISCHKMT2AGAATSHR
SCHEMBL4066929 0.81 NISCH (0.51) ALDH1A1NISCHKMT2ASMN1; SMN2GAA
SCHEMBL4824352 0.81 MAOB (0.44) NISCHGAATSHR
SCHEMBL4357410 0.80 MC4R (0.41) NISCHKMT2ASMN1; SMN2HSD11B1
SCHEMBL4070724 0.80 NISCH (0.51) NISCHKMT2AGAATSHRHSD17B10

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 ALDH1A1 3912/4885NISCH 1934/4885KMT2A 1838/4885

“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.