SCHEMBL17140255

SCHEMBL17140255

c1cc2c(cc1CNC1CCN(C3CNC3)CC1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KCNH2 Q12809 4/20 0.44
SLC2A1 P11166 3/20 0.40
ALDH1A1 P00352 3/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCHR1 Q99705 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL700617 0.81 KDM1A (0.57) CYP2D6CYP3A4CYP2C19HTTKDM1A
SCHEMBL14020819 0.80 KDM1A (0.51) CYP2D6CYP3A4CYP2C19HTTKDM1A
SCHEMBL3695366 0.78 KDM1A (0.49) CYP2D6CYP3A4CYP2C19HTTKDM1A
Hydrochloric Acid SCHEMBL11689115 0.76 HRH3 (0.54) CYP2D6CYP3A4CYP2C19HTTKDM1A
SCHEMBL3689421 0.76 CYP3A4 (0.47) CYP2D6CYP3A4CYP2C19HTTKDM1A
SCHEMBL11999842 0.76 LTA4H (0.52) CYP2D6CYP3A4CYP2C19HTTKDM1A
SCHEMBL18806413 0.75 KEAP1 (0.43) KCNH2ALDH1A1POLB
SCHEMBL20492711 0.73 CYP2D6 (0.67) CYP2D6MEN1KMT2A
SCHEMBL2793943 0.73 TEAD1 (0.47) CYP2D6CYP3A4CYP2C19HTTKDM1A
SCHEMBL22146125 0.73 KDM1A (0.52) CYP2D6CYP3A4CYP2C19HTTKDM1A

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 3 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

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 CYP2D6 808/4885CYP3A4 1533/4885CYP2C19 1098/4885

“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.