SCHEMBL28596245

SCHEMBL28596245

Cc1ccc(C=O)cc1-n1cnnc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
ALDH1A3 P47895 4/20 0.45
CYP2A6 P11509 5/20 0.43
KCNJ1 P48048 2/20 0.41
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TYR P14679 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2A13 Q16696 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL29936108 0.78 ALDH1A1 (0.45) ALDH1A1ALDH1A3CYP2A6KCNJ1MEN1
SCHEMBL29935819 0.77 ALDH1A1 (0.58) ALDH1A1ALDH1A3CYP2A6TSHRMAPT
SCHEMBL4082746 0.76 ALDH1A1 (0.59) ALDH1A1ALDH1A3CYP2A6TSHRMAPT
SCHEMBL29935776 0.74 KIF11 (0.49) ALDH1A1ALDH1A3KCNJ1MEN1MAPT
SCHEMBL3313274 0.73 ALDH1A1 (0.55) ALDH1A1TSHRMEN1GAAMAPT
SCHEMBL21816384 0.71 GAA (0.53) ALDH1A1TSHRMEN1GAAMAPT
SCHEMBL2511973 0.71 KCNJ1 (0.53) ALDH1A1CYP2A6KCNJ1KDM4ENPSR1
SCHEMBL29350085 0.71 CYP2A6 (0.52) ALDH1A1ALDH1A3CYP2A6TSHRHPGD
SCHEMBL98097 0.71 CYP2A6 (0.52) ALDH1A1ALDH1A3CYP2A6TSHRHPGD
SCHEMBL25487219 0.70 ALDH1A1 (0.77) ALDH1A1ALDH1A3MEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN 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
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN 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 312/4885ALDH1A3 93/4885CYP2A6 747/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH ALDH1A1 587/4885ALDH1A3 132/4885CYP2A6 555/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885ALDH1A3 93/4885CYP2A6 747/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885ALDH1A3 93/4885CYP2A6 747/4885

“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.