SCHEMBL3058146

SCHEMBL3058146

CCCN(C(=O)c1cccc2c1OCO2)C(CC(N)=O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HTT P42858 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
SCHEMBL3060317 1.00 GABRA1 (0.35) GABRA1GABRB2TP53SMN1; SMN2ALDH1A1
SCHEMBL3040854 0.92 SMN1; SMN2 (0.35) GABRA1GABRB2SMN1; SMN2ALDH1A1HPGD
SCHEMBL3047594 0.92 SMN1; SMN2 (0.35) GABRA1GABRB2SMN1; SMN2ALDH1A1HPGD
SCHEMBL3060323 0.88 ALDH1A1 (0.36) GABRA1GABRB2TP53SMN1; SMN2ALDH1A1
SCHEMBL3058148 0.88 ALDH1A1 (0.36) GABRA1GABRB2TP53SMN1; SMN2ALDH1A1
SCHEMBL3050030 0.86 HPGD (0.38) SMN1; SMN2ALDH1A1HPGDMAPTLMNA
SCHEMBL3055716 0.86 HPGD (0.38) SMN1; SMN2ALDH1A1HPGDMAPTLMNA
SCHEMBL3055752 0.86 HPGD (0.38) SMN1; SMN2ALDH1A1HPGDMAPTLMNA
SCHEMBL3050496 0.81 HPGD (0.54) GABRA1GABRB2ALDH1A1HPGDMAPT
SCHEMBL3054249 0.81 HPGD (0.54) GABRA1GABRB2ALDH1A1HPGDMAPT

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 GABRA1 35/4885GABRB2 72/4885TP53 3005/4885

“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.