SCHEMBL6480576

SCHEMBL6480576

COc1cccc(OC)c1C(=O)n1c(C)cc2cc(NC(=O)C3CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
POLB P06746 1/20 0.46
GNRHR P30968 1/20 0.45
JAK1 P23458 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2C P28335 1/20 0.44
MALT1 Q9UDY8 2/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6481448 0.96 GRM4 (0.48) MTNR1AMTNR1BACHEBACE1POLB
SCHEMBL6492216 0.96 GRM4 (0.46) MTNR1AMTNR1BACHEBACE1POLB
SCHEMBL6481240 0.95 GRM4 (0.49) ACHEBACE1POLBMALT1HPGD
SCHEMBL6494500 0.90 PARP1 (0.45) MTNR1AMTNR1BACHEBACE1POLB
SCHEMBL6489189 0.87 HSD17B10 (0.46) POLBGNRHRHPGDALDH1A1NPSR1
SCHEMBL6487994 0.86 MEN1 (0.46) GNRHRJAK1MALT1HPGDNPSR1
SCHEMBL6493898 0.86 GRM4 (0.52) ACHEBACE1POLBGNRHRHTR1A
SCHEMBL6489116 0.85 HSD17B10 (0.44) GNRHRJAK1HPGDTP53NPSR1
SCHEMBL6480181 0.83 NPSR1 (0.51) POLBHPGDALDH1A1NPSR1
SCHEMBL6490780 0.83 NPSR1 (0.48) POLBALDH1A1NPSR1MAPT

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-20050215614-A1 Substituted indoles and their use as hcv inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-09-29 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-20050215614-A1 Substituted indoles and their use as hcv inhibitors IDO1, IDO2, HAVCR2 MTNR1A 67/4885MTNR1B 52/4885ACHE 2725/4885

“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.