SCHEMBL3116047

SCHEMBL3116047

Cn1ncc(NC(=O)[C@@H](N)CCCNC(=O)O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.35
NTRK1 P04629 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
LNPEP Q9UIQ6 6/20 0.32
ERAP2 Q6P179 5/20 0.32
ERAP1 Q9NZ08 2/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL3119174 0.88 NTRK1 (0.35) NTRK1LPAR1
SCHEMBL27641137 0.87 CTSB (0.35) NTRK1LNPEPERAP2ERAP1LPAR1
SCHEMBL3121437 0.86 NTRK1 (0.36) NTRK1LMNAMAPTSMN1; SMN2LPAR1
SCHEMBL3123213 0.85 NTRK1 (0.35) NTRK1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL3119231 0.85 SIRT1 (0.37) NTRK1
SCHEMBL5493797 0.84 NTRK1 (0.42) NTRK1KDM4ELMNAPOLBMAPT
SCHEMBL5496615 0.83 HDAC1 (0.40) HDAC3HDAC1HDAC6
SCHEMBL5499949 0.83 KMT2A (0.36) NTRK1KDM4ELMNAMAPTRAB9A
SCHEMBL5496538 0.82 HDAC3 (0.43) HDAC3HDAC1HDAC6
SCHEMBL5498848 0.81 NTRK1 (0.36) NTRK1KDM4ERAB9ASMN1; SMN2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 US disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 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 (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-20050096306-A1 Cephem compounds CEP170, ASS1, C1S ANPEP 1812/4885NTRK1 3019/4885KDM4E 2709/4885

“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.