SCHEMBL17140249

SCHEMBL17140249

CC(C)(C)OC(=O)N1CCC(NCc2cc([N+](=O)[O-])ccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
GPR119 Q8TDV5 8/20 0.49
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
DPP4 P27487 1/20 0.44
EPHX2 P34913 1/20 0.44
STS P08842 1/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
TRPV3 Q8NET8 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 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
SCHEMBL16463397 0.89 ALDH1A1 (0.50) ALDH1A1MAPTLMNANPBWR1MCHR1
SCHEMBL6760062 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNAGPR119DPP4
SCHEMBL5012643 0.83 ALDH1A1 (0.58) ALDH1A1MAPTLMNAGPR119EPHX2
SCHEMBL16463566 0.82 GPR119 (0.44) ALDH1A1MAPTLMNAGPR119DPP4
SCHEMBL16464176 0.82 POLB (0.58) ALDH1A1MAPTLMNAGPR119STS
SCHEMBL6764205 0.81 NPBWR1 (0.43) ALDH1A1MAPTLMNAGPR119NPBWR1
SCHEMBL17140274 0.80 DNMT3A (0.43) ALDH1A1MAPTLMNAGPR119DPP4
SCHEMBL16465106 0.80 ALDH1A1 (0.47) ALDH1A1MAPTLMNAGPR119HTT
SCHEMBL20766458 0.80 GPR119 (0.52) ALDH1A1MAPTGPR119DPP4EPHX2
SCHEMBL2102000 0.80 ALDH1A1 (0.57) ALDH1A1MAPTLMNAGPR119STS

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 ALDH1A1 3693/4885MAPT 3965/4885LMNA 1191/4885

“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.