SCHEMBL6088752

SCHEMBL6088752

COC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
KDM4E B2RXH2 4/20 1.00
LMNA P02545 2/20 1.00
HTT P42858 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
SMN1; SMN2 Q16637 2/20 0.70
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 2/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
BRD4 O60885 1/20 0.51
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.49
NOTUM Q6P988 1/20 0.47

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
SCHEMBL23226795 0.90 ALDH1A1 (0.81) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL9620029 0.89 KDM4E (0.80) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL14336565 0.87 ALDH1A1 (0.78) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL6170198 0.85 KDM4E (0.74) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL6373153 0.83 KDM4E (0.76) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL6304842 0.83 KDM4E (0.70) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL3944042 0.82 SMN1; SMN2 (1.00) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL18229731 0.82 SMN1; SMN2 (0.72) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL24282005 0.81 HTT (0.68) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL28167937 0.81 SMN1; SMN2 (0.76) ALDH1A1KDM4ELMNAHTTL3MBTL1

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 3 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

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 ALDH1A1 1544/4885KDM4E 3154/4885LMNA 3310/4885

“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.