SCHEMBL2220997

SCHEMBL2220997

C=CCCCC[C@@H]1Cn2c(nc3ccccc32)O1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
HTR3A P46098 3/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.32
TLR8 Q9NR97 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2220435 1.00 KDM4E (0.35) KDM4EHTR3ALMNAUSP2ALDH1A1
SCHEMBL7918388 0.85 PTAFR (0.34)
SCHEMBL7915024 0.84 GRM2 (0.32) KDM4EALDH1A1TLR8HSD17B10MAPT
SCHEMBL7927257 0.84 GRM2 (0.32) KDM4EALDH1A1TLR8HSD17B10MAPT
SCHEMBL2188670 0.84 ALDH1A1 (0.37) KDM4EHTR3ALMNAUSP2ALDH1A1
SCHEMBL7922204 0.84 GRM2 (0.46) TLR8POLBMAPTRAB9A
SCHEMBL2219269 0.82 GRM2 (0.47) TLR8
SCHEMBL12441184 0.82 ALDH1A1 (0.36) KDM4EHTR3ALMNAUSP2ALDH1A1
SCHEMBL7923909 0.82 GRM2 (0.47) TLR8
SCHEMBL7922412 0.82 GRM2 (0.47) TLR8

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
US-20110178117-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-07-21 US disclosed
US-20110178117-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-07-21 US disclosed
US-20110178117-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-07-21 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-20110178117-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES GRM2, GRM1, GRM3 KDM4E 2667/4885HTR3A 260/4885LMNA 4831/4885

“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.