SCHEMBL5186971

SCHEMBL5186971

O=C(O)[C@H]1c2ccccc2[C@H]2CN1C(=O)N2O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ACE P12821 5/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
EDNRA P25101 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EDNRB P24530 1/20 0.33
ALOX5 P09917 1/20 0.32
NOTUM Q6P988 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL5186974 1.00 ALDH1A1 (0.35) ALDH1A1POLBHPGDACEMEN1
SCHEMBL5186977 1.00 ALDH1A1 (0.35) ALDH1A1POLBHPGDACEMEN1
SCHEMBL5186384 0.86 CYP2C19 (0.35) ALDH1A1MEN1KMT2AGAA
SCHEMBL5186377 0.86 CYP2C19 (0.35) ALDH1A1MEN1KMT2AGAA
SCHEMBL5254015 0.83 ALDH1A1 (0.35) ALDH1A1POLBHPGDACEMEN1
SCHEMBL5254014 0.83 ALDH1A1 (0.35) ALDH1A1POLBHPGDACEMEN1
SCHEMBL5254013 0.83 ALDH1A1 (0.35) ALDH1A1POLBHPGDACEMEN1
SCHEMBL5185460 0.82 TDP1 (0.34) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL5185450 0.82 TDP1 (0.34) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL5185455 0.82 TDP1 (0.34) ALDH1A1POLBHPGDMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
EP-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 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 (1 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS ALDH1A1 1565/4885POLB 1122/4885HPGD 156/4885

“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.