SCHEMBL16463510

SCHEMBL16463510

Cc1cc(CNC2CCNCC2)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM1A O60341 3/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
GPR35 Q9HC97 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 2/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
CXCR4 P61073 1/20 0.34
TSHR P16473 1/20 0.33
GRIN2D O15399 1/20 0.33

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
SCHEMBL22146008 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2AKDM1A
SCHEMBL16465006 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AKDM1A
SCHEMBL14498138 0.76 ALDH1A1 (0.66) ALDH1A1KDM4EMEN1KMT2AKDM1A
SCHEMBL16463677 0.75 EPHX2 (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL16463777 0.74 POLB (0.45) ALDH1A1KDM4EMEN1KMT2AKDM1A
SCHEMBL14498136 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL16464012 0.73 CXCR4 (0.51) ALDH1A1KDM4EMEN1KMT2AKDM1A
SCHEMBL14417239 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AKDM1A
SCHEMBL19786040 0.72 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2AGPR35
SCHEMBL16465008 0.69 POLB (0.45) ALDH1A1KDM4EMEN1KMT2AKDM1A

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 ALDH1A1 3693/4885KDM4E 2901/4885MEN1 3977/4885

“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.