SCHEMBL3055752

SCHEMBL3055752

CN(C(=O)c1cccc2c1OCO2)[C@H](CC(N)=O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
TACR1 P25103 1/20 0.34
LMNA P02545 2/20 0.34
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
PKM P14618 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
MT-CO2 P00403 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TARBP2 Q15633 1/20 0.33
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL3050030 1.00 HPGD (0.38) HPGDSMN1; SMN2TACR1LMNACTNNB1
SCHEMBL3055716 1.00 HPGD (0.38) HPGDSMN1; SMN2TACR1LMNACTNNB1
SCHEMBL3044581 0.92 CTNNB1 (0.42) HPGDLMNACTNNB1WNT3AALDH1A1
SCHEMBL3039886 0.92 CTNNB1 (0.42) HPGDLMNACTNNB1WNT3AALDH1A1
SCHEMBL3051127 0.91 C5AR1 (0.38) LMNAALDH1A1MT-CO2MEN1MAPT
SCHEMBL3040813 0.91 ABCB1 (0.35) TACR1LMNACTNNB1WNT3AMAPT
SCHEMBL3051174 0.91 C5AR1 (0.38) LMNAALDH1A1MT-CO2MEN1MAPT
SCHEMBL3040903 0.91 ABCB1 (0.35) TACR1LMNACTNNB1WNT3AMAPT
SCHEMBL3040854 0.88 SMN1; SMN2 (0.35) HPGDSMN1; SMN2LMNACTNNB1WNT3A
SCHEMBL3047594 0.88 SMN1; SMN2 (0.35) HPGDSMN1; SMN2LMNACTNNB1WNT3A

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 1 patent. 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 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 756/4885SMN1; SMN2 2299/4885TACR1 1055/4885

“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.