SCHEMBL5199342

SCHEMBL5199342

O=C(C(=O)c1ccc(C(F)(F)F)cc1)c1ccncc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.79
CES1 P23141 2/20 0.79
KIF11 P52732 1/20 0.54
SRD5A2 P31213 1/20 0.52
GSK3B P49841 2/20 0.50
PTPN1 P18031 1/20 0.50
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PLOD2 O00469 1/20 0.47
PLOD3 O60568 1/20 0.47
PLOD1 Q02809 1/20 0.47
NAPRT Q6XQN6 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46

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
SCHEMBL3172262 0.89 CES2 (1.00) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL4030893 0.82 CES2 (0.77) CES2CES1SRD5A2MEN1HPGD
SCHEMBL2783342 0.82 NAPRT (0.65) CES2CES1MEN1HPGDKMT2A
SCHEMBL5197425 0.82 KIF11 (0.55) CES2CES1KIF11SRD5A2MEN1
SCHEMBL2834217 0.81 CES2 (0.83) CES2CES1KIF11SRD5A2GSK3B
SCHEMBL20010796 0.81 CES2 (0.83) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL4749048 0.81 CES2 (0.56) CES2CES1KIF11SRD5A2ALDH1A1
SCHEMBL3053668 0.78 LTA4H (0.76) CES2CES1MEN1KMT2ALTA4H
SCHEMBL3058646 0.78 CES2 (0.78) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL3753543 0.78 CES2 (0.76) CES2CES1KIF11SRD5A2GSK3B

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
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060173048-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2006-08-03 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-20060173048-A1 Imidazole derivatives GRM2, GRM1, GRIN2C CES2 730/4885CES1 1786/4885KIF11 3495/4885

“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.