SCHEMBL16463561

SCHEMBL16463561

O=[N+]([O-])c1cc(CNC2CCNCC2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
POLB P06746 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CXCR4 P61073 1/20 0.44
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
VCAM1 P19320 4/20 0.41
UTS2R Q9UKP6 1/20 0.41
KMT2A Q03164 3/20 0.40
HTR6 P50406 1/20 0.40
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PIM1 P11309 1/20 0.39
CSNK2A2 P19784 1/20 0.39

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
SCHEMBL16463498 0.85 POLB (0.45) KDM1APOLBKDM4EALDH1A1CXCR4
SCHEMBL16463777 0.85 POLB (0.45) KDM1APOLBKDM4EALDH1A1CXCR4
SCHEMBL16464012 0.84 CXCR4 (0.51) KDM1APOLBKDM4EALDH1A1CXCR4
SCHEMBL16465008 0.82 POLB (0.45) KDM1APOLBKDM4EALDH1A1CXCR4
SCHEMBL16465246 0.81 POLB (0.43) KDM1APOLBKDM4EALDH1A1CXCR4
SCHEMBL16465029 0.81 ALDH1A1 (0.49) POLBALDH1A1CXCR4KMT2AMEN1
SCHEMBL4980744 0.81 PRMT5 (0.64) POLBPRMT5WDR77HTR6PIM1
SCHEMBL5608590 0.78 BCHE (0.59) POLBKDM4EALDH1A1BCHEACHE
SCHEMBL27704317 0.77 PRMT5 (0.47) KDM1APOLBPRMT5WDR77KMT2A
SCHEMBL14498136 0.77 ALDH1A1 (0.49) POLBKDM4EALDH1A1KMT2AHTR6

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 KDM1A 2014/4885POLB 7/4885KDM4E 2901/4885

“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.