SCHEMBL6090961

SCHEMBL6090961

CCC(O)(CC)c1ccc2nc(C(F)(F)F)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SCN10A Q9Y5Y9 3/20 0.50
KCNH2 Q12809 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.44
NPBWR1 P48145 3/20 0.44
DGAT1 O75907 2/20 0.43

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
SCHEMBL10694441 0.81 KDM4E (0.65) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6090873 0.81 MAPT (0.59) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL26563559 0.76 ALDH1A1 (0.58) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL14336639 0.74 KCNH2 (0.62) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL436153 0.73 ALDH1A1 (0.63) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL17900017 0.73 SCN10A (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4229474 0.73 ALDH1A1 (0.58) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5681855 0.72 NPSR1 (0.59) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL25113785 0.71 SCN10A (0.55) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL13483956 0.71 NPSR1 (0.54) KDM4EALDH1A1MAPTHPGDHSD17B10

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 KDM4E 3154/4885ALDH1A1 1544/4885MAPT 4025/4885

“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.