SCHEMBL5493337

SCHEMBL5493337

Cn1ncc(NC(=O)CC(=O)NCCNC(=O)O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
NTRK1 P04629 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
BRD4 O60885 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
GAA P10253 1/20 0.32
LPAR1 Q92633 1/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 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
SCHEMBL5494715 0.90 ITGB3 (0.36) CYP2C9HPGDNTRK1HDAC3HDAC1
SCHEMBL5493797 0.89 NTRK1 (0.42) NTRK1BRD4BRD9KMT2ARAB9A
SCHEMBL5496615 0.88 HDAC1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5499949 0.88 KMT2A (0.36) HPGDNTRK1HDAC3HDAC4HDAC1
SCHEMBL6427861 0.88 NTRK1 (0.35) CYP2C9HPGDNTRK1BRD4BRD9
SCHEMBL5496538 0.87 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3111828 0.86 NTRK1 (0.36) NTRK1BRD4BRD9GAALPAR1
SCHEMBL3113265 0.85 NTRK1 (0.33) CYP2C9HPGDNTRK1BRD4BRD9
SCHEMBL6425423 0.84 HPGD (0.40) HPGDNTRK1GAAKMT2ARAB9A
SCHEMBL5500962 0.84 ADRA2C (0.39) NTRK1BRD4BRD9GAALPAR1

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 CYP2C9 92/4885HPGD 1961/4885NTRK1 2964/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CYP2C9 116/4885HPGD 1974/4885NTRK1 3809/4885

“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.