SCHEMBL21893576

SCHEMBL21893576

O=C(O)c1nccn2cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MYC P01106 1/20 0.40
CYP1A2 P05177 1/20 0.40
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ACKR3 P25106 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ESR1 P03372 1/20 0.35

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
Potassium SCHEMBL31133359 0.98 KDM4E (0.43) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL27884977 0.84 ELANE (0.37) KDM4EALDH1A1L3MBTL1ACKR3LMNA
SCHEMBL415747 0.78 TSHR (0.42) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL3799874 0.76 BRD4 (0.48) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL18742120 0.73 IDO1 (0.40) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL1154852 0.72 ACKR3 (0.33) KDM4EALDH1A1ALOX15ACKR3GAA
SCHEMBL3528247 0.72 NUDT1 (0.45) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL1419899 0.70 KDM4E (0.50) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL25514677 0.70 ALDH1A1 (0.50) KDM4EALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL9772462 0.69 HSD17B10 (0.40) KDM4EALDH1A1ALOX15TSHRNPSR1

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-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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 (3 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885ALDH1A1 312/4885MAPT 2516/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885ALDH1A1 312/4885MAPT 2516/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 2437/4885ALDH1A1 312/4885MAPT 2516/4885

“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.