SCHEMBL5398795

SCHEMBL5398795

Cc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
HTT P42858 2/20 0.47
HPGD P15428 5/20 0.47
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KCNA5 P22460 2/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5401671 0.93 HPGD (0.52) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL5392409 0.90 ALDH1A1 (0.50) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL5392452 0.90 HTT (0.50) MAPK1HTTHPGDALDH1A1KDM4E
SCHEMBL5394637 0.89 HPGD (0.54) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL5399560 0.89 ALDH1A1 (0.47) MAPK1HTTHPGDNAMPTALDH1A1
SCHEMBL5418440 0.89 L3MBTL1 (0.52) ALDH1A1KDM4EKMT2A
SCHEMBL5401031 0.88 HPGD (0.51) HTTHPGDALDH1A1KDM4ELMNA
SCHEMBL5397914 0.88 MAPK1 (0.49) MAPK1HTTALDH1A1POLBSMN1; SMN2
SCHEMBL5403468 0.88 POLB (0.52) HTTHPGDALDH1A1KDM4EPOLB
SCHEMBL5409176 0.88 MAPK1 (0.50) MAPK1HTTHPGDNAMPTALDH1A1

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 MAPK1 1369/4885HTT 3791/4885HPGD 1078/4885

“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.