SCHEMBL6089162

SCHEMBL6089162

CCC(O)(CC)c1ccc2nc(N)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.60
EPHX2 P34913 1/20 0.60
RAB9A P51151 6/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP3A4 P08684 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 1/20 0.49
AXL P30530 1/20 0.49
GFER P55789 1/20 0.49
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48

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
SCHEMBL6090372 0.88 NOS3 (0.48) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL19618135 0.83 SCN4A (0.62) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL27444083 0.83 SCN4A (0.66) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL21179397 0.82 SCN4A (0.54) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL6092062 0.82 KMT2A (0.52) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL111586 0.79 SCN4A (0.70) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL31078908 0.78 CYP3A4 (0.49) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL11702113 0.77 SCN4A (0.71) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL1417399 0.76 SCN4A (1.00) SCN4AEPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL6088994 0.75 DYRK1A (0.70) RAB9ANPC1SMN1; SMN2HTTCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R SCN4A 2213/4885EPHX2 4326/4885RAB9A 4158/4885

“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.