SCHEMBL5501012

SCHEMBL5501012

CN(CC(=O)Nc1cnn(C)c1N)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
MITF O75030 2/20 0.34
RAB9A P51151 2/20 0.34
GALR2 O43603 1/20 0.34
S1PR4 O95977 1/20 0.34
TP53 P04637 1/20 0.34
S1PR1 P21453 1/20 0.34
BPTF Q12830 2/20 0.34
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
KAT2B Q92831 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL5497757 0.77 BRD9 (0.36) RAB9ABPTFKMT2AKAT2BBRD9
SCHEMBL5498488 0.75 HDAC1 (0.35) HTTRAB9AKMT2AALDH1A1POLB
SCHEMBL6065170 0.74 HTT (0.47) CA1CA2LMNAHTTRAB9A
SCHEMBL3120670 0.72 PKM (0.47) LMNARAB9AKMT2AALDH1A1KDM4E
SCHEMBL16592911 0.71 GLA (0.34) LMNAHTTRAB9AKMT2AALDH1A1
SCHEMBL20540627 0.70 NTRK1 (0.39) CA1CA2LMNATP53KMT2A
SCHEMBL3715020 0.70 CA1 (0.39) CA1CA2LMNAHTTRAB9A
SCHEMBL17853274 0.69 CNR2 (0.34) HTTBPTFKMT2AALDH1A1KDM4E
SCHEMBL15856849 0.69 NTRK1 (0.37) CA1CA2LMNABPTFKMT2A
SCHEMBL16078095 0.69 L3MBTL1 (0.44) RAB9AKMT2AKDM4EPOLBNTRK1

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 CA1 3697/4885CA2 997/4885LMNA 2462/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CA1 3104/4885CA2 691/4885LMNA 2913/4885

“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.