SCHEMBL25528113

SCHEMBL25528113

Cc1cnn2c(C=O)c(C)nc2c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL21863674 0.76 KDM4E (0.33) KDM4EALDH1A1NPC1RAB9A
SCHEMBL31449486 0.74 NPC1 (0.38) KDM4EMGLLALDH1A1NPC1RAB9A
SCHEMBL29935760 0.72 PDE4A (0.41) ALDH1A1NPC1RAB9A
SCHEMBL31449128 0.71 KDM4E (0.50) KDM4EALDH1A1NPC1RAB9A
SCHEMBL21849018 0.71 KDM4E (0.44) KDM4EMGLLALDH1A1
SCHEMBL31449610 0.71 ENPP3 (0.47) KDM4EMGLLALDH1A1NPC1RAB9A
SCHEMBL21848974 0.70 KDM4E (0.39) KDM4EALDH1A1NPC1RAB9A
SCHEMBL23531019 0.69 ALDH1A1 (0.56) KDM4EALDH1A1NPC1RAB9A
Potassium Ion SCHEMBL21816151 0.69 MGLL (0.38) KDM4EMGLLALDH1A1RAB9A
SCHEMBL21816080 0.66 KMT2A (0.60) KDM4EALDH1A1NPC1RAB9A

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 3 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-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 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 (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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2800/4885MGLL 1/4885ALDH1A1 344/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885MGLL 1/4885ALDH1A1 312/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 2437/4885MGLL 1/4885ALDH1A1 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.