SCHEMBL5493399

SCHEMBL5493399

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.39
MAPT P10636 3/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 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
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.32
EPHX1 P07099 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
LPAR1 Q92633 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
SCHEMBL5493797 0.90 NTRK1 (0.42) NTRK1MAPTKMT2AMEN1ITGB3
SCHEMBL5499993 0.86 NTRK1 (0.34) NTRK1MAPTKMT2AMEN1LMNA
SCHEMBL19213536 0.85 EPHX1 (0.46) NTRK1MAPTKMT2AMEN1ITGB3
Carbamic Acid SCHEMBL5493402 0.84 NTRK1 (0.40) NTRK1MAPTKMT2AMEN1ITGB3
SCHEMBL19399313 0.83 NTRK1 (0.39) NTRK1MAPTKMT2AMEN1ITGB3
SCHEMBL5492718 0.82 BCHE (0.40) NTRK1LMNAPOLB
SCHEMBL3107474 0.82 NTRK1 (0.38) NTRK1POLBMAPK1LPAR1
SCHEMBL6425378 0.81 LPAR1 (0.37) NTRK1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL3119092 0.80 LPAR1 (0.38) NTRK1KMT2AMEN1KDM4EHTT
SCHEMBL16592842 0.80 MAPK1 (0.35) NTRK1MAPK1LPAR1

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 NTRK1 2964/4885MAPT 2537/4885KMT2A 2510/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 NTRK1 3809/4885MAPT 3238/4885KMT2A 2826/4885

“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.