SCHEMBL5406833

SCHEMBL5406833

C=CCNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 2/20 0.42
KCNA5 P22460 5/20 0.42
KCNA3 P22001 2/20 0.42
KCNK3 O14649 1/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAF1 P04049 1/20 0.37
MAP2K1 Q02750 1/20 0.37

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
SCHEMBL5402839 0.89 LMNA (0.61) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5395806 0.86 KCNA5 (0.53) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5409541 0.85 MAPT (0.56) LMNAHTTMAPTHPGDCYP1A2
SCHEMBL5404013 0.85 MAPT (0.48) LMNAHTTMAPTHPGDCYP1A2
SCHEMBL5403484 0.83 LMNA (0.58) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5394599 0.83 LMNA (0.48) LMNAHTTMAPTKCNA5KCNA3
SCHEMBL5404179 0.83 KMT2A (0.49) LMNAHTTMAPTKCNA5KCNA3
SCHEMBL5404003 0.83 LMNA (0.48) LMNAHTTMAPTKCNA5KCNA3
SCHEMBL5406269 0.83 LMNA (0.48) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5394218 0.83 KCNA5 (0.49) LMNAHTTKCNA5KCNA3KCNK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB LMNA 308/4885HTT 3791/4885MAPT 457/4885

“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.