SCHEMBL22915904

SCHEMBL22915904

COc1cc(C(=O)N2CCc3[nH]cnc3C2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
MAPK1 P28482 1/20 0.48
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
PDE4B Q07343 2/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 2/20 0.41
GRM5 P41594 1/20 0.41
PKM P14618 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL22915968 0.90 MAPK1 (0.60) NAMPTMAPK1NPC1LMNAMAPT
SCHEMBL22915934 0.82 HPGD (0.51) NAMPTNPC1L3MBTL1POLBPDE4B
SCHEMBL22916015 0.81 POLB (0.57) NAMPTMAPK1LMNAMAPTKDM4E
SCHEMBL22916012 0.81 ALDH1A1 (0.53) L3MBTL1PDE4BHPGDGRM5
SCHEMBL22915948 0.81 NAMPT (0.60) NAMPTKDM4EL3MBTL1GRM5
SCHEMBL22915902 0.80 KDM4E (0.48) NAMPTNPC1KDM4ERAB9APKM
SCHEMBL22915972 0.79 NAMPT (0.48) NAMPTKDM4EPOLBHPGDGRM5
SCHEMBL20214414 0.79 SMN1; SMN2 (0.57) NAMPTMAPK1KDM4EHPGDGRM5
SCHEMBL24062095 0.78 NAMPT (0.47) NAMPTLMNAMAPTKDM4EKMT2A
SCHEMBL22915970 0.78 POLB (0.55) NAMPTKDM4EMEN1KMT2AL3MBTL1

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 NAMPT 1158/4885MAPK1 2638/4885NPC1 3805/4885

“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.