SCHEMBL3154545

SCHEMBL3154545

NC(=O)C(OC(F)(F)C(F)F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.35
SRC P12931 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL4980942 0.86 PPARG (0.41) CYP2D6CES2CES1ALDH1A1CYP3A4
SCHEMBL3458611 0.84 EPHX1 (0.43) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL22758109 0.77 ALDH1A1 (0.42) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL3154551 0.77 EPHX1 (0.38) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL5892872 0.75 ALDH1A1 (0.40) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL11825339 0.73 EPHX1 (0.41) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL5550527 0.72 CYP2D6 (0.46) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL1068632 0.71 KMT2A (0.57) SMN1; SMN2CYP2D6CYP1A2PKMNPSR1
SCHEMBL17491377 0.71 SMN1; SMN2 (0.48) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL19615169 0.71 SMN1; SMN2 (0.44) EPHX1SMN1; SMN2CYP2D6CYP1A2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI EPHX1 3998/4885SMN1; SMN2 2297/4885CYP2D6 53/4885

“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.