SCHEMBL29935657

SCHEMBL29935657

Cc1ccc2c(C=O)c[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 4/20 0.65
CYP2A6 P11509 2/20 0.64
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
IMPDH2 P12268 1/20 0.56
PLG P00747 1/20 0.55
PLAU P00749 1/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR4A2 P43354 1/20 0.49
HTR2A P28223 1/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
HASPIN Q8TF76 1/20 0.46
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
IDO1 P14902 1/20 0.43
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL1049957 1.00 PIM3 (0.65) PIM3CYP2A6ALDH1A1KDM4EMAPT
Trifluoroacetic Acid SCHEMBL31133434 0.87 PIM3 (0.52) PIM3CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL15161642 0.86 PIM3 (0.55) PIM3CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL1094048 0.85 ALDH1A1 (0.63) PIM3CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL3083000 0.83 HTR2A (0.49) PIM3CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL9377060 0.79 CYP2A6 (0.66) PIM3CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL29956305 0.79 CYP2A6 (0.66) PIM3CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL844626 0.79 PIM3 (1.00) PIM3CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL19178909 0.78 TDO2 (0.68) PIM3ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL16067285 0.78 CYP2A6 (0.64) PIM3CYP2A6ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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 PIM3 4571/4885CYP2A6 747/4885ALDH1A1 312/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH PIM3 3974/4885CYP2A6 555/4885ALDH1A1 587/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PIM3 4571/4885CYP2A6 747/4885ALDH1A1 312/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PIM3 4571/4885CYP2A6 747/4885ALDH1A1 312/4885

“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.