SCHEMBL3050503

SCHEMBL3050503

CCCN(C(=O)c1ccc2c(c1)OCO2)C(CCN)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
RAB9A P51151 2/20 0.46
KIF11 P52732 1/20 0.46
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42

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
SCHEMBL3054257 1.00 HPGD (0.54) HPGDALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL3060201 0.92 HPGD (0.55) HPGDALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL3061020 0.92 HPGD (0.55) HPGDALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL3054249 0.88 HPGD (0.54) HPGDALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL3050496 0.88 HPGD (0.54) HPGDALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL3044976 0.85 HPGD (0.60) HPGDALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL3057851 0.85 HPGD (0.60) HPGDALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL3040900 0.85 HPGD (0.60) HPGDALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL3058148 0.81 ALDH1A1 (0.36) HPGDALDH1A1MAPTGAAGABRA1
SCHEMBL3060323 0.81 ALDH1A1 (0.36) HPGDALDH1A1MAPTGAAGABRA1

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 756/4885ALDH1A1 15/4885MAPT 1096/4885

“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.