SCHEMBL3054700

SCHEMBL3054700

CN(C(=O)c1ccc2c(c1)OC(F)(F)O2)C(CCN)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.47
WNT3A P56704 3/20 0.47
SMYD3 Q9H7B4 3/20 0.41
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CFTR P13569 1/20 0.36
HTR1A P08908 1/20 0.36
LMNA P02545 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
FAAH O00519 1/20 0.34
HDAC4 P56524 1/20 0.34
MEN1 O00255 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
SCHEMBL3060971 1.00 CTNNB1 (0.47) CTNNB1WNT3ASMYD3HPGDTSHR
SCHEMBL3046893 0.91 HPGD (0.40) CTNNB1WNT3AHPGDTSHRALDH1A1
SCHEMBL3062684 0.91 HPGD (0.40) CTNNB1WNT3AHPGDTSHRALDH1A1
SCHEMBL3060969 0.88 CTNNB1 (0.47) CTNNB1WNT3ASMYD3HPGDTSHR
SCHEMBL3054698 0.88 CTNNB1 (0.47) CTNNB1WNT3ASMYD3HPGDTSHR
SCHEMBL3057851 0.83 HPGD (0.60) CTNNB1WNT3AHPGDTSHRALDH1A1
SCHEMBL3040900 0.83 HPGD (0.60) CTNNB1WNT3AHPGDTSHRALDH1A1
SCHEMBL3044976 0.83 HPGD (0.60) CTNNB1WNT3AHPGDTSHRALDH1A1
SCHEMBL3058209 0.83 TSHR (0.60) CTNNB1HPGDTSHRALDH1A1GAA
SCHEMBL3058333 0.83 TSHR (0.60) CTNNB1HPGDTSHRALDH1A1GAA

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 CTNNB1 2500/4885WNT3A 4271/4885SMYD3 3701/4885

“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.