SCHEMBL17140274

SCHEMBL17140274

CC(C)(C)OC(=O)N1CCC(NCc2ccc([N+](=O)[O-])c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GPR119 Q8TDV5 7/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
DPP4 P27487 1/20 0.42
EPHX2 P34913 1/20 0.42
TEAD1 P28347 1/20 0.41
NR1D1 P20393 1/20 0.41
CCNT1 O60563 1/20 0.41

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
SCHEMBL16463566 0.92 GPR119 (0.44) DNMT3AALDH1A1GPR119MAPTNPC1
SCHEMBL17140268 0.87 ALDH1A1 (0.43) ALDH1A1GPR119MAPTNPC1MAPK1
SCHEMBL16463771 0.86 EPHX2 (0.44) ALDH1A1GPR119MAPTNPC1MAPK1
SCHEMBL17140281 0.86 ALDH1A1 (0.46) ALDH1A1GPR119MAPTNPC1MAPK1
SCHEMBL16463385 0.85 ALDH1A1 (0.47) DNMT3AALDH1A1MAPTNPC1MAPK1
SCHEMBL16462077 0.85 EPHX2 (0.47) DNMT3AALDH1A1GPR119MAPTNPC1
SCHEMBL17140321 0.85 GPR119 (0.43) DNMT3AALDH1A1GPR119MAPTNPC1
SCHEMBL16464781 0.84 BCHE (0.45) ALDH1A1HTTTEAD1
SCHEMBL5012643 0.83 ALDH1A1 (0.58) ALDH1A1GPR119MAPTNPC1MAPK1
SCHEMBL16464176 0.82 POLB (0.58) ALDH1A1GPR119MAPTLMNA

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 DNMT3A 54/4885ALDH1A1 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.