SCHEMBL139928

SCHEMBL139928

O/N=C/C#Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
MAPT P10636 3/20 0.38
FFAR1 O14842 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
GRM5 P41594 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL139929 1.00 APP (0.48) APPMAPTFFAR1CYP1A2CYP3A4
SCHEMBL133678 0.77 GRM5 (0.46) FFAR1CYP1A2CYP3A4GRM5NPC1
SCHEMBL136855 0.77 KCNH2 (0.45) CYP3A4CYP2C9GRM5TSHRKCNH2
SCHEMBL136854 0.77 KCNH2 (0.45) CYP3A4CYP2C9GRM5TSHRKCNH2
SCHEMBL133677 0.77 GRM5 (0.46) FFAR1CYP1A2CYP3A4GRM5NPC1
SCHEMBL8696089 0.73 APP (0.55) APPMAPTFFAR1CYP1A2CYP3A4
SCHEMBL5507856 0.72 APP (0.61) APPMAPTFFAR1CYP1A2CYP3A4
SCHEMBL5507858 0.72 APP (0.61) APPMAPTFFAR1CYP1A2CYP3A4
SCHEMBL9146168 0.72 APP (0.61) APPMAPTFFAR1CYP1A2CYP3A4
SCHEMBL840229 0.69 APP (0.55) APPMAPTFFAR1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062735-B Synthesis method of isoselenazole derivative 温州大学 2022-11-08 CN disclosed
CN-112062735-A Synthesis method of isoselenazole derivative 温州大学 2020-12-11 CN disclosed
EP-2590985-B1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2014-05-14 EP disclosed
US-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US disclosed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 APP 3618/4885MAPT 3429/4885FFAR1 425/4885

“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.