SCHEMBL20734901

SCHEMBL20734901

O=C1C=C(OCc2cccc(F)c2)C(Cc2ccccc2)N1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
NR4A2 P43354 2/20 0.43
MAOB P27338 12/20 0.41
MAOA P21397 1/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP10 Q53GL7 1/20 0.40
GRM5 P41594 1/20 0.39
KCNH2 Q12809 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
SCHEMBL20734900 1.00 P2RX7 (0.46) P2RX7NR4A2MAOBMAOAIDO1
SCHEMBL20735047 0.87 NPSR1 (0.40) NR4A2MAOBMAOALMNAL3MBTL1
SCHEMBL20734933 0.87 NPSR1 (0.40) NR4A2MAOBMAOALMNAL3MBTL1
SCHEMBL21973638 0.85 P2RX7 (0.46) P2RX7NR4A2MAOBMAOAIDO1
SCHEMBL21929341 0.83 MAOB (0.48) MAOBMAOAIDO1AGXT
SCHEMBL20734907 0.82 ALOX5 (0.42) MAOBMAOAKCNH2
SCHEMBL20734912 0.82 ALOX5 (0.42) MAOBMAOAKCNH2
SCHEMBL24332985 0.82 NR4A2 (0.37) P2RX7NR4A2MAOBMAOAIDO1
SCHEMBL20734913 0.81 PARP15 (0.40) MAOBIDO1LMNAPARP10KCNH2
SCHEMBL20734916 0.81 PARP15 (0.40) MAOBIDO1LMNAPARP10KCNH2

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-11130733-B2 4-OXO-alkylated tetramic acid compound, preparation method and use thereof BEIJING JOEKAI BIOTECH. LLC (CN) 2021-09-28 US disclosed
US-20200361868-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD AND USE THEREOF BEIJING JOEKAI BIOTECH. LLC (CN) 2020-11-19 US disclosed
WO-2019029273-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京卓凯生物技术有限公司 2019-02-14 WO disclosed
WO-2019029274-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND AND PREPARATION METHOD THEREFOR 北京卓凯生物技术有限公司 2019-02-14 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 (2 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-11130733-B2 4-OXO-alkylated tetramic acid compound, preparation method and use thereof HTT, PARK7, PSEN1 P2RX7 1387/4885NR4A2 1608/4885MAOB 187/4885
US-20200361868-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD AND USE THEREOF HTT, PARK7, PSEN1 P2RX7 1387/4885NR4A2 1608/4885MAOB 187/4885

“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.