SCHEMBL29935703

SCHEMBL29935703

COc1cc(C=O)cc(-n2cncn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 2/20 0.59
CYP2A6 P11509 2/20 0.43
MAOB P27338 1/20 0.42
MAOA P21397 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
FBP1 P09467 1/20 0.40
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL21893497 0.78 CYP1A2 (0.45) ALDH1A1SMN1; SMN2KDM4ECYP2A6MAOB
SCHEMBL29891238 0.77 CYP1A2 (0.44) ALDH1A1SMN1; SMN2KDM4ECYP2A6MAOB
SCHEMBL29935877 0.77 KDM4E (0.60) ALDH1A1SMN1; SMN2KDM4ECYP2A6CYP1A2
SCHEMBL30038775 0.77 CYP1A2 (0.44) ALDH1A1SMN1; SMN2KDM4ECYP2A6MAOB
SCHEMBL2356727 0.77 CYP1A2 (0.44) ALDH1A1SMN1; SMN2KDM4ECYP2A6MAOB
SCHEMBL30039610 0.76 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KDM4EMAOBMAOA
SCHEMBL951176 0.76 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KDM4ECYP2A6CYP1A2
SCHEMBL21819425 0.75 CYP1A2 (0.44) ALDH1A1SMN1; SMN2KDM4EMAOBMAOA
SCHEMBL31133374 0.75 CYP1A2 (0.44) ALDH1A1SMN1; SMN2KDM4EMAOBMAOA
SCHEMBL29935864 0.75 CYP1A2 (0.53) ALDH1A1SMN1; SMN2CYP2A6MAOBCYP1A2

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-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ALDH1A1 312/4885SMN1; SMN2 3418/4885KDM4E 2437/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH ALDH1A1 587/4885SMN1; SMN2 3345/4885KDM4E 3565/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885SMN1; SMN2 3418/4885KDM4E 2437/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885SMN1; SMN2 3418/4885KDM4E 2437/4885

“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.