SCHEMBL16464705

SCHEMBL16464705

O=[N+]([O-])c1nc(CNC2CCNCC2)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
AOC3 Q16853 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SOS1 Q07889 1/20 0.31
EP300 Q09472 1/20 0.31
LMNA P02545 1/20 0.31
GRIN2B Q13224 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL15219366 0.76 PDE10A (0.43) DRD2DRD4DRD3MEN1ALDH1A1
SCHEMBL16465028 0.75 POLB (0.41) POLBMEN1ALDH1A1KMT2AMAPT
SCHEMBL11919146 0.74 DRD4 (0.38) DRD2DRD4DRD3AOC3KDM4E
SCHEMBL16465751 0.73 ACKR3 (0.42) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL11915998 0.73 EP300 (0.41) DRD2DRD4DRD3AOC3SOS1
SCHEMBL16464182 0.71 MAPT (0.41) POLBMEN1ALDH1A1KMT2AMAPT
SCHEMBL16463328 0.70 POLB (0.45) POLBMEN1ALDH1A1KMT2AMAPT
SCHEMBL16462801 0.69 KMT2A (0.48) POLBMEN1ALDH1A1KMT2AMAPT
SCHEMBL10865373 0.68 CHRM2 (0.33) PRKCQ
SCHEMBL5608590 0.68 BCHE (0.59) POLBMEN1ALDH1A1KMT2AMAPT

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 DRD2 4696/4885DRD4 4545/4885DRD3 4518/4885

“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.