SCHEMBL5498909

SCHEMBL5498909

Cn1ncc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.35
BRD9 Q9H8M2 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
NTRK1 P04629 2/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30

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
SCHEMBL5494835 0.88 ACSS2 (0.36) BRD9ACSS2MEN1KMT2ACNR2
SCHEMBL3109524 0.83 HDAC4 (0.35) MEN1KMT2AALDH1A1
SCHEMBL3109532 0.83 HDAC4 (0.35) MEN1KMT2AALDH1A1
SCHEMBL3122773 0.82 SIRT5 (0.38) MEN1KMT2AALDH1A1
SCHEMBL3122762 0.82 SIRT5 (0.38) MEN1KMT2AALDH1A1
SCHEMBL5526455 0.81 BRD9 (0.35) BRD9ACSS2RAB9AMEN1NPC1
SCHEMBL5496197 0.79 SIGMAR1 (0.38) LPAR1RAB9AMEN1NPC1GAA
SCHEMBL5492718 0.78 BCHE (0.40) NTRK1LMNACKS1BSKP1SKP2
SCHEMBL5493756 0.78 GSK3B (0.33) RAB9AITGA4ITGB7GSK3BDYRK1A
SCHEMBL20262161 0.78 LPAR1 (0.37) LPAR1ITGA4ITGB7LMNA

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 6 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
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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 (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 LPAR1 3610/4885BRD9 3009/4885ACSS2 1009/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 LPAR1 3937/4885BRD9 2975/4885ACSS2 1294/4885

“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.