SCHEMBL18263370

SCHEMBL18263370

NCC(F)CNC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ANPEP P15144 2/20 0.50
ERAP2 Q6P179 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.42
GMNN O75496 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SLC2A1 P11166 1/20 0.40
GRIN2B Q13224 1/20 0.39

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
SCHEMBL9516706 0.79 KDM4E (0.76) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL16538131 0.78 KDM4E (0.60) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL2801217 0.77 KDM4E (0.54) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL5505906 0.76 KDM4E (0.48) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL5506825 0.76 KDM4E (0.48) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL6009887 0.76 KDM4E (0.48) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL5504924 0.76 KDM4E (0.48) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL28834995 0.75 KDM4E (0.52) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL29100048 0.74 KDM4E (0.50) KDM4EANPEPERAP2SMN1; SMN2HTT
SCHEMBL3154036 0.74 KDM4E (0.68) KDM4EANPEPERAP2SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-06-14 US disclosed
US-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-06-14 US disclosed
EP-3303338-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES President and Fellows of Harvard College (US) 2018-04-11 EP disclosed
WO-2016191658-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-12-01 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-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES SI, UGGT1, ALPI KDM4E 2392/4885ANPEP 819/4885ERAP2 1685/4885

“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.