SCHEMBL16463383

SCHEMBL16463383

O=[N+]([O-])c1ccc(O)c(CNC2CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
POLB P06746 1/20 0.45
APP P05067 1/20 0.45
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CTSB P07858 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR35 Q9HC97 1/20 0.44
ITGA4 P13612 4/20 0.44
ITGB7 P26010 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL22624766 0.87 NPBWR1 (0.63) NPBWR1MCHR1POLBAPPGRIN2B
SCHEMBL16462754 0.85 NPBWR1 (0.49) NPBWR1MCHR1POLBGRIN2BALDH1A1
SCHEMBL3711539 0.82 NPBWR1 (0.46) NPBWR1MCHR1POLBGRIN2BALDH1A1
SCHEMBL28128093 0.80 NPBWR1 (0.51) NPBWR1MCHR1POLBGRIN2BALDH1A1
SCHEMBL5608590 0.78 BCHE (0.59) POLBGRIN2BALDH1A1MEN1KMT2A
SCHEMBL16795376 0.77 PABPC1 (0.51) PABPC1SLC2A1
SCHEMBL16464079 0.76 POLB (0.76) POLBGRIN2BALDH1A1CTSBTSHR
Hydrochloric Acid SCHEMBL16795222 0.76 PABPC1 (0.50) PABPC1SLC2A1
SCHEMBL11509750 0.76 APP (0.56) APPALDH1A1CTSBTP53HPGD
SCHEMBL16463397 0.75 ALDH1A1 (0.50) NPBWR1MCHR1ALDH1A1CTSBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2015-10-08 US disclosed
EP-2906216-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS Vitas Pharma Research Private Limited (IN) 2015-08-19 EP disclosed
WO-2014057415-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PVT LTD (IN) 2014-04-17 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 (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-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 NPBWR1 4438/4885MCHR1 4512/4885POLB 7/4885

“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.