SCHEMBL3046891

SCHEMBL3046891

CN(C(=O)c1ccc2c(c1)OC(C)(C)O2)C(CC(N)=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
ALOX5 P09917 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MEN1 O00255 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
SCHEMBL3062683 1.00 HPGD (0.40) HPGDTSHRALDH1A1GAALMNA
SCHEMBL3060969 0.91 CTNNB1 (0.47) HPGDTSHRALDH1A1GAALMNA
SCHEMBL3054698 0.91 CTNNB1 (0.47) HPGDTSHRALDH1A1GAALMNA
SCHEMBL3062684 0.87 HPGD (0.40) HPGDTSHRALDH1A1GAALMNA
SCHEMBL3046893 0.87 HPGD (0.40) HPGDTSHRALDH1A1GAALMNA
SCHEMBL3058204 0.84 TSHR (0.60) HPGDTSHRALDH1A1GAALMNA
SCHEMBL3058328 0.84 TSHR (0.60) HPGDTSHRALDH1A1GAALMNA
SCHEMBL3040894 0.84 HPGD (0.60) HPGDTSHRALDH1A1GAALMNA
SCHEMBL3057846 0.84 HPGD (0.60) HPGDTSHRALDH1A1GAALMNA
SCHEMBL3044972 0.84 HPGD (0.60) HPGDTSHRALDH1A1GAALMNA

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 HPGD 756/4885TSHR 3832/4885ALDH1A1 15/4885

“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.