SCHEMBL5405895

SCHEMBL5405895

Cc1cccc(CN(C)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCC(=O)O)CCc2ccccc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 6/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TACR1 P25103 1/20 0.38
HSP90AA1 P07900 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.34
HSP90AB1 P08238 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
SCHEMBL5398682 0.90 KMT2A (0.44) HCRTR1HCRTR2KMT2ATDP1TACR1
SCHEMBL5401126 0.89 NPC1 (0.46) HCRTR1HCRTR2KMT2AHSP90AA1MEN1
SCHEMBL5398782 0.88 HCRTR1 (0.42) HCRTR1HCRTR2KDM4EKMT2AMEN1
SCHEMBL5412268 0.87 KMT2A (0.42) HCRTR1HCRTR2KDM4EKMT2AMEN1
SCHEMBL5404012 0.87 KDM4E (0.43) HCRTR1HCRTR2KDM4ETDP1ALDH1A1
SCHEMBL5412315 0.87 KMT2A (0.39) HCRTR1HCRTR2KMT2ATDP1TACR1
SCHEMBL5407055 0.87 KMT2A (0.43) KMT2ATDP1TACR1MEN1ALDH1A1
SCHEMBL5401118 0.86 KMT2A (0.39) HCRTR1HCRTR2KMT2ATDP1TACR1
SCHEMBL5402924 0.86 KCNH2 (0.39) HCRTR1HCRTR2KMT2ATDP1TACR1
SCHEMBL5401005 0.85 KMT2A (0.48) KMT2ATDP1TACR1HSP90AA1MEN1

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 HCRTR1 2878/4885HCRTR2 2515/4885KDM4E 4680/4885

“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.