SCHEMBL16465751

SCHEMBL16465751

CC(C)(C)OC(=O)N1CCC(NCc2csc([N+](=O)[O-])n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.42
ALDH1A1 P00352 4/20 0.41
GPR119 Q8TDV5 4/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 1/20 0.39
AEBP2 Q6ZN18 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 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
SCHEMBL18806412 0.81 NR1D1 (0.44) ALDH1A1EPHX1MAPTL3MBTL1NPC1
SCHEMBL16462841 0.78 ALDH1A1 (0.50) ALDH1A1GPR119EPHX1MAPTL3MBTL1
SCHEMBL16465106 0.77 ALDH1A1 (0.47) ALDH1A1GPR119EPHX1MAPTL3MBTL1
SCHEMBL5012643 0.76 ALDH1A1 (0.58) ALDH1A1GPR119EPHX1MAPTL3MBTL1
SCHEMBL17140275 0.76 NR1D1 (0.57) ALDH1A1GPR119EPHX1MAPTL3MBTL1
SCHEMBL30079591 0.75 ALDH1A1 (0.42) ALDH1A1GPR119EPHX1MAPTL3MBTL1
SCHEMBL17140305 0.74 ALDH1A1 (0.46) ALDH1A1GPR119EPHX1MAPTL3MBTL1
SCHEMBL2102000 0.74 ALDH1A1 (0.57) ALDH1A1GPR119EPHX1MAPTL3MBTL1
SCHEMBL16466208 0.74 ALDH1A1 (0.43) ALDH1A1GPR119EPHX1MAPTL3MBTL1
SCHEMBL3768244 0.73 GPR119 (0.49) ALDH1A1GPR119EPHX1MAPTL3MBTL1

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 ACKR3 4514/4885ALDH1A1 3693/4885GPR119 4865/4885

“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.