SCHEMBL4926475

SCHEMBL4926475

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccnc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 1/20 0.47
GALR3 O60755 1/20 0.45
NR2F2 P24468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
PDE10A Q9Y233 1/20 0.44
HCRTR1 O43613 3/20 0.44

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
SCHEMBL4930242 0.97 POLB (0.49) L3MBTL1POLBRECQLLMNACYP1A2
SCHEMBL5402996 0.95 POLB (0.54) L3MBTL1POLBRECQLCYP1A2CYP3A4
SCHEMBL5403428 0.92 APP (0.49) LMNAALDH1A1HTTKDM4EMAPK1
SCHEMBL5403132 0.89 LMNA (0.48) LMNAALDH1A1HTTKDM4EMAPK1
SCHEMBL4931284 0.88 PPARA (0.46) LMNAALDH1A1KDM4EAPPMAPT
SCHEMBL4921807 0.88 LMNA (0.46) POLBLMNAKMT2AAPPMAPT
SCHEMBL5401148 0.88 LMNA (0.46) LMNAALDH1A1KDM4EAPPMAPT
SCHEMBL5392202 0.88 RAB9A (0.55) L3MBTL1POLBLMNAALDH1A1USP2
SCHEMBL5398713 0.88 KMT2A (0.50) L3MBTL1POLBLMNACYP1A2CYP2C19
SCHEMBL5395620 0.88 KMT2A (0.50) LMNACYP1A2CYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO.,LTD. 2008-03-13 US disclosed
US-7300917-B2 Remedy for chronic disease ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20060135577-A1 Remedy for chronic disease ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1550461-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-06 EP 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 (3 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 L3MBTL1 1016/4885POLB 527/4885RECQL 2470/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 L3MBTL1 2319/4885POLB 3551/4885RECQL 3313/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 L3MBTL1 2319/4885POLB 3551/4885RECQL 3313/4885

“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.