SCHEMBL22915936

SCHEMBL22915936

O=C(c1ccc2c(c1)OCCO2)N1CCc2[nH]cnc2C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.53
TSHR P16473 2/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
NAMPT P43490 1/20 0.47
CHRNA7 P36544 1/20 0.45
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 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
SCHEMBL20214410 0.93 HPGD (0.58) HPGDTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL22916015 0.81 POLB (0.57) HPGDTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL24062103 0.80 HPGD (0.51) HPGDTSHRNAMPTPKMKDM4E
SCHEMBL22915886 0.79 NAMPT (0.51) HPGDTSHRALDH1A1NPC1NAMPT
SCHEMBL22915948 0.78 NAMPT (0.60) NAMPTKDM4E
SCHEMBL24062095 0.78 NAMPT (0.47) HPGDALDH1A1SMN1; SMN2NAMPTHSD17B10
SCHEMBL22915970 0.78 POLB (0.55) HPGDALDH1A1NAMPTPKMKDM4E
SCHEMBL22915890 0.78 KDM4E (0.47) HPGDNAMPTKDM4E
SCHEMBL22915968 0.77 MAPK1 (0.60) HPGDALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL22915971 0.77 SLC6A7 (0.52) HPGDALDH1A1SMN1; SMN2NPC1NAMPT

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 HPGD 606/4885TSHR 4154/4885RECQL 436/4885

“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.