SCHEMBL4335517

SCHEMBL4335517

CC(C)(C)c1cc(C(=O)CN2C(=N)N(Cc3ccccc3)CC2=O)cc(C(C)(C)C)c1OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 8/20 0.43
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
HDAC6 Q9UBN7 2/20 0.36
MAOB P27338 3/20 0.36
BCHE P06276 2/20 0.35
MAOA P21397 2/20 0.35
ACHE P22303 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
S1PR2 O95136 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL4335514 0.87 F2R (0.54) F2RPPARGPPARDPPARAHDAC6
SCHEMBL4336035 0.76 F2R (0.43) F2RMAOBBCHEMAOAACHE
SCHEMBL4340442 0.76 F2R (0.50) F2RMAOBBCHEMAOAACHE
SCHEMBL4338978 0.76 F2R (0.49) F2RMAOBBCHEMAOAACHE
SCHEMBL14346247 0.74 F2R (0.48) F2RHDAC6MAOBBCHEMAOA
SCHEMBL6748424 0.74 F2R (0.64) F2RSMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL6752883 0.73 F2R (0.56) F2RBCHEMAOAACHESMN1; SMN2
SCHEMBL6750404 0.73 F2R (0.66) F2RSMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL4335413 0.73 F2R (0.41) F2RSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL6746329 0.72 F2R (0.61) F2RSMN1; SMN2MAPTALDH1A1TSHR

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-1391456-B1 2-IMINOIMIDAZOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2009-07-22 EP disclosed
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed
US-20050004197-A1 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 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-20050004197-A1 2-iminoimidazole derivatives (2) H1-2, H1-3, H1-4 F2R 2393/4885PPARG 3444/4885PPARD 3829/4885

“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.