SCHEMBL5498604

SCHEMBL5498604

CCn1ncc(NC(=O)CNC(=O)O)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.38
MITF O75030 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK14 Q16539 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL5493766 0.82 TLR7 (0.37) ALDH1A1KDM4EMAPT
SCHEMBL5493769 0.73 CA1 (0.41) TDP1L3MBTL1RAB9ANPC1MAPK14
SCHEMBL27620809 0.72 GAA (0.36) ALDH1A1LMNAL3MBTL1NPC1SMN1; SMN2
SCHEMBL5500971 0.71 POLB (0.32) ALDH1A1LMNATDP1L3MBTL1HTT
SCHEMBL5492776 0.70 ITGA4 (0.36) LMNATDP1KDM4E
SCHEMBL5498488 0.69 HDAC1 (0.35) ALDH1A1TDP1L3MBTL1RAB9AHTT
SCHEMBL14638883 0.69 LMNA (0.51) ALDH1A1LMNATDP1L3MBTL1RAB9A
SCHEMBL3121390 0.69 ALDH1A1 (0.35) ALDH1A1LMNAL3MBTL1HTTMAPK14
SCHEMBL27805081 0.68 BRD4 (0.36) ALDH1A1LMNATDP1NPC1HTT
SCHEMBL2806923 0.67 ALDH1A1 (0.45) ALDH1A1LMNARAB9ANPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 WO 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 (2 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 ALDH1A1 1158/4885LMNA 2462/4885MITF 1792/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 ALDH1A1 908/4885LMNA 2913/4885MITF 2476/4885

“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.