SCHEMBL5404013

SCHEMBL5404013

C=CCNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
CA1 P00915 1/20 0.36
GAA P10253 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL5409541 0.93 MAPT (0.56) MAPTSMN1; SMN2HPGDCYP1A2ALDH1A1
SCHEMBL5402674 0.89 KMT2A (0.48) MAPTHPGDCYP1A2ALDH1A1MAPK1
SCHEMBL5396800 0.88 MAPT (0.48) MAPTSMN1; SMN2HPGDCYP1A2ALDH1A1
SCHEMBL5392084 0.88 SMN1; SMN2 (0.53) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL5397914 0.88 MAPK1 (0.49) MAPTSMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL5405921 0.87 MAPT (0.55) MAPTSMN1; SMN2HPGDCYP1A2ALDH1A1
SCHEMBL5409220 0.85 TDP1 (0.48) MAPTALDH1A1KMT2ALMNARAB9A
SCHEMBL5406833 0.85 LMNA (0.47) MAPTSMN1; SMN2HPGDCYP1A2ALDH1A1
SCHEMBL5394820 0.84 CA1 (0.51) MAPTALDH1A1LMNACA1CA9
SCHEMBL5402238 0.84 MAPT (0.44) MAPTSMN1; SMN2HPGDCYP1A2ALDH1A1

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 MAPT 457/4885SMN1; SMN2 57/4885HPGD 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.