SCHEMBL5399560

SCHEMBL5399560

O=C(O)CCN(CCc1ccncc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
KCNA5 P22460 2/20 0.42
MEN1 O00255 1/20 0.40
CNR2 P34972 2/20 0.40
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK5 O95279 1/20 0.38
KCNK17 Q96T54 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL5401634 0.91 MAPT (0.44) ALDH1A1SMN1; SMN2NAMPTLMNAKMT2A
SCHEMBL5409102 0.91 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL5398701 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL5398795 0.89 MAPK1 (0.49) ALDH1A1SMN1; SMN2NAMPTLMNAKMT2A
SCHEMBL5418440 0.89 L3MBTL1 (0.52) ALDH1A1KMT2AMEN1CNR2
SCHEMBL5414359 0.88 KCNA5 (0.46) ALDH1A1SMN1; SMN2LMNAKMT2AKCNA5
SCHEMBL5397914 0.88 MAPK1 (0.49) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL5399511 0.88 KMT2A (0.48) ALDH1A1SMN1; SMN2NAMPTLMNAKMT2A
SCHEMBL5409109 0.87 CHRNB2 (0.54) ALDH1A1SMN1; SMN2KMT2APOLBMEN1
SCHEMBL5392177 0.87 AURKA (0.44) ALDH1A1SMN1; SMN2KMT2APOLBMAPK1

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 ALDH1A1 1256/4885SMN1; SMN2 57/4885NAMPT 797/4885

“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.