SCHEMBL1273733

SCHEMBL1273733

CCCN(CCC)S(=O)(=O)c1ccc(Cn2nc(NC(=O)C3COc4ccccc4O3)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 3/20 0.43
MAPK1 P28482 1/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41

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
SCHEMBL1273873 0.94 GLA (0.64) GLAL3MBTL1LMNASMN1; SMN2HTT
SCHEMBL1272576 0.90 LMNA (0.61) GLAL3MBTL1LMNASMN1; SMN2HTT
SCHEMBL1273830 0.89 GLA (0.41) GLAL3MBTL1LMNAHTTALDH1A1
SCHEMBL1272569 0.86 ALDH1A1 (0.48) GLAL3MBTL1LMNASMN1; SMN2HTT
SCHEMBL1273710 0.83 GLA (0.48) GLAL3MBTL1LMNASMN1; SMN2TSHR
SCHEMBL6532488 0.81 CA12 (0.46) SMN1; SMN2HTTRAB9APOLBMEN1
SCHEMBL1273266 0.76 MAPT (0.61) LMNASMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL1273704 0.75 ALDH1A1 (0.46) ALDH1A1POLBMAPT
SCHEMBL16085874 0.75 NPC1 (0.51) GLAL3MBTL1SMN1; SMN2HTTTSHR
SCHEMBL1273818 0.74 MAPT (0.44) SMN1; SMN2ALDH1A1MAPK1HPGDPOLB

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-20110038850-A1 G Protein-Coupled Receptor and Modulators Thereof For The Treatment of Gaba-Related Neurological Disorders Including Sleep-Related Disorders ARENA PHARMACEUTICALS, INC. 2011-02-17 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-20110038850-A1 G Protein-Coupled Receptor and Modulators Thereof For The Treatment of Gaba-Related Neurological Disorders Including Sleep-Related Disorders BRS3, GPR3, GABRA3 GLA 3619/4885L3MBTL1 2354/4885LMNA 1894/4885

“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.