SCHEMBL5497720

SCHEMBL5497720

Cn1ncc(NC(=O)CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NTRK1 P04629 2/20 0.35
GAA P10253 2/20 0.35
RECQL P46063 1/20 0.35
KCNN4 O15554 1/20 0.35
LPAR1 Q92633 1/20 0.34
BRD4 O60885 3/20 0.33
BRD9 Q9H8M2 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KAT2B Q92831 2/20 0.33
ITK Q08881 1/20 0.33
TP53 P04637 2/20 0.32
FLT1 P17948 2/20 0.32
MAPK1 P28482 1/20 0.32
KDR P35968 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL3111828 0.88 NTRK1 (0.36) NTRK1GAALPAR1BRD4BRD9
SCHEMBL5500962 0.88 ADRA2C (0.39) NTRK1GAARECQLLPAR1BRD4
SCHEMBL6425423 0.88 HPGD (0.40) KDM4EPKMALDH1A1NTRK1GAA
Carbamic Acid SCHEMBL5499998 0.87 CA1 (0.40) KDM4EGLAPKMALDH1A1NTRK1
SCHEMBL6425375 0.86 LPAR1 (0.36) ALDH1A1NTRK1GAALPAR1MEN1
SCHEMBL3119092 0.85 LPAR1 (0.38) KDM4EALDH1A1NTRK1LPAR1BRD4
SCHEMBL5499993 0.85 NTRK1 (0.34) KDM4EGLAPKMALDH1A1NTRK1
SCHEMBL5496197 0.84 SIGMAR1 (0.38) GAALPAR1MEN1KMT2AKDR
SCHEMBL27620832 0.84 CETP (0.44) KDM4EGLAALDH1A1GAAKMT2A
SCHEMBL6065837 0.84 LPAR1 (0.37) KDM4EALDH1A1NTRK1GAALPAR1

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 10 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
CN-100343260-C Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2007-10-17 CN 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
CN-1708502-A Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-14 CN 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 KDM4E 3379/4885GLA 2058/4885PKM 2500/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 KDM4E 3077/4885GLA 1744/4885PKM 2962/4885

“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.