SCHEMBL17140281

SCHEMBL17140281

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
KDM1A O60341 1/20 0.45
NR1D1 P20393 2/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
STS P08842 4/20 0.43
MEN1 O00255 1/20 0.42
APOBEC3A P31941 1/20 0.42
KMT2A Q03164 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CCNT1 O60563 1/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL17140268 0.89 ALDH1A1 (0.43) ALDH1A1POLBNR1D1MAPTNPC1
SCHEMBL16463771 0.88 EPHX2 (0.44) ALDH1A1NR1D1MAPTNPC1MAPK1
SCHEMBL16463566 0.88 GPR119 (0.44) ALDH1A1NR1D1MAPTNPC1MAPK1
SCHEMBL16463385 0.87 ALDH1A1 (0.47) ALDH1A1POLBMAPTNPC1MAPK1
SCHEMBL17140321 0.87 GPR119 (0.43) ALDH1A1NR1D1MAPTNPC1MAPK1
SCHEMBL17140274 0.86 DNMT3A (0.43) ALDH1A1NR1D1MAPTNPC1MAPK1
SCHEMBL27182163 0.84 ALDH1A1 (0.43) ALDH1A1NR1D1MAPTNPC1MAPK1
SCHEMBL5012643 0.83 ALDH1A1 (0.58) ALDH1A1KDM4ENR1D1MAPTNPC1
SCHEMBL16464176 0.82 POLB (0.58) ALDH1A1KDM4EPOLBKDM1AMAPT
SCHEMBL652849 0.81 HTT (0.57) ALDH1A1KDM4EPOLBMAPTNPC1

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 3693/4885KDM4E 2901/4885POLB 7/4885

“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.