SCHEMBL474091

SCHEMBL474091

CCN(CC)CCNC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
NFKB1 P19838 1/20 0.53
KCNH2 Q12809 1/20 0.53
BLM P54132 2/20 0.51
CYP3A4 P08684 2/20 0.51
POLB P06746 2/20 0.51
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
KMT2A Q03164 1/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
ACHE P22303 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HIF1A Q16665 1/20 0.48
PMP22 Q01453 1/20 0.47

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
SCHEMBL5157765 0.87 KDM4E (0.55) ALDH1A1NFKB1KCNH2BLMCYP3A4
SCHEMBL12478419 0.87 PAOX (0.47) ALDH1A1NFKB1KCNH2BLMCYP3A4
SCHEMBL48858 0.86 ALDH1A1 (0.58) ALDH1A1NFKB1KCNH2BLMCYP3A4
SCHEMBL15473842 0.86 ALDH1A1 (0.43) ALDH1A1NFKB1KCNH2BLMCYP3A4
SCHEMBL16790905 0.85 KDM4E (0.52) ALDH1A1NFKB1KCNH2BLMCYP3A4
SCHEMBL16317805 0.84 PAOX (0.47) ALDH1A1NFKB1KCNH2BLMCYP3A4
SCHEMBL4940443 0.83 KMT2A (0.59) ALDH1A1NFKB1KCNH2BLMCYP3A4
SCHEMBL13655355 0.83 ALDH1A1 (0.53) ALDH1A1NFKB1KCNH2BLMCYP3A4
SCHEMBL28551495 0.83 KDM4E (0.64) ALDH1A1NFKB1KCNH2MAPK1LMNA
SCHEMBL18572992 0.83 KDM4E (0.64) ALDH1A1NFKB1KCNH2MAPK1LMNA

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 145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
JP-2007513193-A 2007-05-24 JP claimed
WO-2006089874-A1 BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONES GPC BIOTECH AG (DE) 2006-08-31 WO claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-4057430-A MEROCYANINE THIOHYDANTOIN SENSITIZERS FUJI PHOTO FILM CO., LTD. (JA) 1977-11-08 US claimed
WO-2024105363-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
WO-2023235535-A1 FLUORESCENTLY-ACTIVE FREE RADICAL TAGS FOR SIMULTANEOUS GLYCAN QUANTITATION AND CHARACTERIZATION MONTCLAIR STATE UNIVERSITY (US) 2023-12-07 WO disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
EP-4248968-A2 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-09-27 EP disclosed
US-20230212120-A1 SMALL MOLECULE INHIBITORS OF GRK5 AND GRK5 SUBFAMILY MEMBERS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-07-06 US disclosed
EP-0105425-A2 Silver halide photographic light sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1984-04-18 EP disclosed
US-4057430-A MEROCYANINE THIOHYDANTOIN SENSITIZERS FUJI PHOTO FILM CO., LTD. (JA) 1977-11-08 US disclosed
US-4047964-A BENZISOXAZOLE FUJI PHOTO FILM CO., LTD. (JA) 1977-09-13 US disclosed
US-4040841-A SENSITIZING DYE FUJI PHOTO FILM CO., LTD. (JA) 1977-08-09 US disclosed
US-4021251-A Silver halide photographic emulsions FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 US disclosed
US-3953216-A BENZOXAZOLES, NAPHTHOXAZOLES FUJI PHOTO FILM CO., LTD. (JA) 1976-04-27 US 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2648/4885NFKB1 565/4885KCNH2 4302/4885
US-20230212120-A1 SMALL MOLECULE INHIBITORS OF GRK5 AND GRK5 SUBFAMILY MEMBERS AND USES THEREOF GRK5, GRK3, GRK4 ALDH1A1 2524/4885NFKB1 3357/4885KCNH2 420/4885
US-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 ALDH1A1 473/4885NFKB1 3137/4885KCNH2 2304/4885

“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.