SCHEMBL6715935

SCHEMBL6715935

C[C@H](N)CC(=O)Nc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.54
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR1E P28566 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 1/20 0.49
HTR2B P41595 1/20 0.49
HTR6 P50406 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
APAF1 O14727 1/20 0.45

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
SCHEMBL27522079 0.81 STING1 (0.54) STING1MAPTALDH1A1
SCHEMBL4103760 0.81 STING1 (0.60) STING1LMNA
SCHEMBL4099310 0.81 STING1 (0.54) STING1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL4092376 0.80 STING1 (0.59) STING1KDM4EMAPTALDH1A1MEN1
SCHEMBL5142090 0.79 STING1 (0.55) STING1MAPTALDH1A1LMNA
SCHEMBL4490274 0.77 STING1 (0.59) STING1KDM4EALDH1A1
SCHEMBL2824958 0.76 AANAT (0.67) KDM4EMAPTALDH1A1MEN1LMNA
SCHEMBL1596152 0.76 STING1 (0.61) STING1POLBMEN1LMNATSHR
SCHEMBL17537292 0.75 ALDH1A1 (0.62) KDM4EMAPTALDH1A1POLBMEN1
SCHEMBL28736881 0.75 STING1 (0.74) STING1ALDH1A1

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-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 STING1 2460/4885ADRB1 2478/4885HTR1A 2880/4885

“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.