SCHEMBL22915968

SCHEMBL22915968

COc1ccc(C(=O)N2CCc3[nH]cnc3C2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
NPC1 O15118 1/20 0.56
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAMPT P43490 1/20 0.47
TP53 P04637 2/20 0.47

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
SCHEMBL22915904 0.90 NAMPT (0.49) MAPK1NPC1LMNAMAPTPDE4B
SCHEMBL22915934 0.85 HPGD (0.51) NPC1PDE4BPDE4DHPGDALDH1A1
SCHEMBL22916015 0.83 POLB (0.57) MAPK1LMNAMAPTHPGDALDH1A1
SCHEMBL22916012 0.83 ALDH1A1 (0.53) PDE4BHPGDALDH1A1L3MBTL1
SCHEMBL22915902 0.82 KDM4E (0.48) NPC1ALDH1A1KDM4ERAB9ANAMPT
SCHEMBL3414785 0.81 NPC1 (0.41) MAPK1NPC1ALDH1A1L3MBTL1MEN1
SCHEMBL22915970 0.81 POLB (0.55) HPGDALDH1A1POLBL3MBTL1MEN1
SCHEMBL24062103 0.80 HPGD (0.51) HPGDPOLBKDM4ENAMPT
SCHEMBL22915886 0.79 NAMPT (0.51) NPC1LMNAMAPTHPGDALDH1A1
SCHEMBL22915969 0.79 HPGD (0.51) HPGDPOLBL3MBTL1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186572-B2 Bacterial glutaminyl cyclases and inhibitors thereof for use in the treatment of periodontitis FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2021-11-30 US disclosed
EP-3548613-B1 BACTERIAL GLUTAMINYL CYCLASE INHIBITORS AND USE THEREOF IN THE TREATMENT OF PERIODONTITIS FRAUNHOFER GES FORSCHUNG (DE) 2021-01-27 EP 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 (1 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-11186572-B2 Bacterial glutaminyl cyclases and inhibitors thereof for use in the treatment of periodontitis GMPS, QPCT, GLS MAPK1 2638/4885NPC1 3805/4885LMNA 2144/4885

“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.