SCHEMBL29935924

SCHEMBL29935924

COc1ccnc(C=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
TSHR P16473 2/20 0.37
NFE2L2 Q16236 1/20 0.36
FDPS P14324 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ERN1 O75460 4/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
TLR6 Q9Y2C9 1/20 0.34
AOX1 Q06278 1/20 0.34
TRIM24 O15164 1/20 0.34
HPGD P15428 1/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34

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
SCHEMBL8469390 0.82 FDPS (0.37) ALDH1A1NFE2L2FDPSRXFP1
SCHEMBL29951089 0.81 SMN1; SMN2 (0.43) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL30963127 0.81 ALDH1A1 (0.37) ALDH1A1TSHRNFE2L2FDPSTDP1
SCHEMBL28154686 0.81 ERN1 (0.41) ALDH1A1TSHRNFE2L2FDPSTDP1
SCHEMBL4111524 0.81 ALDH1A1 (0.37) ALDH1A1TSHRNFE2L2FDPSTDP1
SCHEMBL29268437 0.79 ERN1 (0.49) ALDH1A1TDP1KDM4EMAPTERN1
SCHEMBL30644382 0.79 PRKDC (0.39) ALDH1A1TSHRNFE2L2FDPSTDP1
SCHEMBL29954700 0.79 NFE2L2 (0.39) ALDH1A1TSHRNFE2L2FDPSTDP1
SCHEMBL27861568 0.79 MAPT (0.38) ALDH1A1FDPSTDP1KDM4EMAPT
SCHEMBL27844295 0.76 GAA (0.38) ALDH1A1TDP1MAPT

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 ALDH1A1 312/4885TSHR 909/4885NFE2L2 2854/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH ALDH1A1 587/4885TSHR 400/4885NFE2L2 3306/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885TSHR 909/4885NFE2L2 2854/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885TSHR 909/4885NFE2L2 2854/4885

“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.