SCHEMBL6493898

SCHEMBL6493898

COc1ccccc1C(=O)n1c(C)cc2cc(NC(=O)C3CCCC3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2C P28335 1/20 0.45
MALT1 Q9UDY8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GNRHR P30968 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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 0.90 GRM4 (0.48) GRM4MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL6481240 0.89 GRM4 (0.49) GRM4MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL6492216 0.88 GRM4 (0.46) GRM4MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL6490763 0.87 GRM4 (0.53) GRM4SMN1; SMN2NPSR1MAOAMAOB
SCHEMBL6480576 0.86 MTNR1A (0.47) ACHEBACE1POLBMAPTHTT
SCHEMBL6480181 0.81 NPSR1 (0.51) SMN1; SMN2POLBNPSR1MAOAMAOB
SCHEMBL6480891 0.81 NPSR1 (0.50) GRM4SMN1; SMN2NPSR1MAOAMAOB
SCHEMBL6480935 0.81 NPSR1 (0.50) SMN1; SMN2NPSR1MAOAMAOBALDH1A1
SCHEMBL6481059 0.80 NPSR1 (0.49) GRM4SMN1; SMN2NPSR1MAOAMAOB
SCHEMBL6480722 0.80 NPSR1 (0.49) SMN1; SMN2NPSR1MAOAMAOBALDH1A1

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 GRM4 3740/4885MEN1 4842/4885KMT2A 3232/4885

“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.