SCHEMBL22915917

SCHEMBL22915917

O=C(/C=C/c1ccccc1)N1CCc2[nH]cnc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 4/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 5/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 3/20 0.48
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ME2 P23368 1/20 0.44
ME1 P48163 1/20 0.44
ME3 Q16798 1/20 0.44
GAA P10253 2/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL20213924 0.90 MEN1 (0.51) MEN1KMT2ARAB9APOLBMAPT
SCHEMBL6421743 0.85 MAPT (0.60) MEN1KMT2ARAB9AMAPTHPGD
SCHEMBL22915890 0.79 KDM4E (0.47) HPGDKDM4E
SCHEMBL22916009 0.79 NPC1 (0.47) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL1994788 0.78 NAMPT (0.38) POLBKDM4EMAPK1
SCHEMBL22915967 0.75 MAPK1 (0.50) MEN1KMT2APOLBHPGDKDM4E
SCHEMBL6418657 0.74 KDM4E (0.51) MEN1KMT2ARAB9AMAPTHPGD
SCHEMBL26603867 0.74 MAPT (0.80) MEN1KMT2ARAB9APOLBMAPT
SCHEMBL22915949 0.74 NPC1 (0.51) MEN1KMT2APOLBMAPTHPGD
SCHEMBL6423786 0.74 CACNA2D1 (0.47) HPGD

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 MEN1 3926/4885KMT2A 3341/4885RAB9A 533/4885

“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.