SCHEMBL7926084

SCHEMBL7926084

Nc1ccc2c(c1)nc1n2CC(CCCCCCO)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
HTT P42858 1/20 0.38
GRM2 Q14416 4/20 0.36
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
RAD52 P43351 2/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKACA P17612 1/20 0.31
GSK3B P49841 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL7918239 0.91 RAD52 (0.36) KDM4EHTTGRM2RAD52MAPT
SCHEMBL7928160 0.88 GRM2 (0.48) KDM4EGRM2RAD52
SCHEMBL7922728 0.88 GRM2 (0.36) KDM4EHTTGRM2RAD52MAPT
SCHEMBL7924595 0.88 GRM2 (0.48) KDM4EGRM2RAD52
SCHEMBL7915024 0.84 GRM2 (0.32) KDM4EGRM2RAD52MAPTALDH1A1
SCHEMBL7927257 0.84 GRM2 (0.32) KDM4EGRM2RAD52MAPTALDH1A1
SCHEMBL2174198 0.83 GRM2 (0.38) KDM4EGRM2ALDH1A1
SCHEMBL12441184 0.83 ALDH1A1 (0.36) KDM4EGRM2MAPTALDH1A1HSD17B10
SCHEMBL2188670 0.82 ALDH1A1 (0.37) KDM4EGRM2MAPTALDH1A1HSD17B10
SCHEMBL2171455 0.76 GRM2 (0.38) KDM4EGRM2ALDH1A1HSD17B10PRKACA

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-20110178117-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-07-21 US disclosed
WO-2010036544-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-04-01 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-20110178117-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES GRM2, GRM1, GRM3 KDM4E 2667/4885HTT 740/4885GRM2 1/4885

“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.