SCHEMBL29935755

SCHEMBL29935755

O=Cc1ncn(-c2ncccc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.35
GRM1 Q13255 3/20 0.34
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP2A6 P11509 1/20 0.31
NFE2L2 Q16236 5/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
IDO1 P14902 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL28598905 0.78 KDM4E (0.37) KDM4EALDH1A1MEN1NPC1RAB9A
SCHEMBL21893500 0.76 ALOX5AP (0.38) HDAC9GRM1KDM4EL3MBTL1ALDH1A1
SCHEMBL21818380 0.74 TP53 (0.40) HDAC9GRM1KDM4EL3MBTL1ALDH1A1
SCHEMBL28589923 0.72 GRM5 (0.43) KDM4EALDH1A1GRM5
SCHEMBL24656685 0.72 HRH3 (0.34) HDAC9GRM1KDM4EL3MBTL1ALDH1A1
SCHEMBL31055585 0.72 MEN1 (0.36) KDM4EL3MBTL1TRIM24TRIM33CYP2A6
SCHEMBL24655968 0.72 TRPV1 (0.34) HDAC9GRM1KDM4EL3MBTL1ALDH1A1
SCHEMBL1805076 0.72 HDAC9 (0.40) HDAC9KDM4EL3MBTL1ALDH1A1TRIM24
SCHEMBL21816148 0.69 P2RX7 (0.46) KDM4EL3MBTL1ALDH1A1MAPTCYP2A6
SCHEMBL28600058 0.69 KEAP1 (0.44) ALDH1A1MAPTNPC1KMT2A

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
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 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

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 HDAC9 582/4885GRM1 126/4885KDM4E 2437/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH HDAC9 1446/4885GRM1 208/4885KDM4E 3565/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HDAC9 582/4885GRM1 126/4885KDM4E 2437/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP HDAC9 582/4885GRM1 126/4885KDM4E 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.