SCHEMBL18839742

SCHEMBL18839742

O=C1c2ccccc2C(=O)N1OCCn1cncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
HTT P42858 1/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
TP53 P04637 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL5477815 0.78 HTT (0.48) SMN1; SMN2HTTALDH1A1KDM4ENPC1
SCHEMBL18839964 0.77 GAA (0.53) HTTGAAALDH1A1TP53TDP1
SCHEMBL10835797 0.76 TDP1 (0.50) SMN1; SMN2KDM4ETDP1LMNARAB9A
SCHEMBL18839580 0.75 GAA (0.59) SMN1; SMN2HTTGAAALDH1A1TDP1
SCHEMBL22326350 0.75 GAA (0.88) SMN1; SMN2HTTGAAALDH1A1KDM4E
SCHEMBL10835426 0.75 TDP1 (0.53) SMN1; SMN2TDP1MEN1KMT2AMAPK1
SCHEMBL18839796 0.73 GAA (0.53) HTTGAAALDH1A1TDP1MAPT
SCHEMBL18839831 0.73 GAA (0.53) HTTGAAALDH1A1TDP1MAPT
SCHEMBL6570943 0.71 GAA (0.74) SMN1; SMN2HTTGAAALDH1A1KDM4E
SCHEMBL13140562 0.71 GAA (0.62) SMN1; SMN2HTTGAAALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 US disclosed
WO-2017081615-A1 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2017-05-18 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-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS SMN1; SMN2 2740/4885HTT 4697/4885GAA 4163/4885

“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.