SCHEMBL24062103

SCHEMBL24062103

O=C(c1ccc(Cl)c(Cl)c1)N1CCc2[nH]cnc2C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
NAMPT P43490 1/20 0.49
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.46
TACR3 P29371 1/20 0.43
P2RX7 Q99572 1/20 0.43
POLB P06746 1/20 0.41
PGR P06401 3/20 0.41
HSD11B1 P28845 1/20 0.41
MTHFD2 P13995 1/20 0.40
MAPK14 Q16539 1/20 0.40
TSHR P16473 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
SCHEMBL24062095 0.86 NAMPT (0.47) HPGDNAMPTKDM4EPOLB
SCHEMBL20214653 0.84 GRM5 (0.50) HPGDNAMPTPKMKDM4E
SCHEMBL22916015 0.84 POLB (0.57) HPGDNAMPTKDM4EPOLBTSHR
SCHEMBL24062105 0.84 NAMPT (0.44) HPGDNAMPTKDM4EP2RX7POLB
Oxalic Acid SCHEMBL6423881 0.83 NAMPT (0.44) HPGDNAMPTKDM4EPOLB
SCHEMBL22915886 0.82 NAMPT (0.51) HPGDNAMPTKDM4EPOLBMAPK14
SCHEMBL22915948 0.81 NAMPT (0.60) NAMPTKDM4E
SCHEMBL22915970 0.81 POLB (0.55) HPGDNAMPTPKMKDM4ETACR3
SCHEMBL22915890 0.81 KDM4E (0.47) HPGDNAMPTKDM4EMTHFD2
SCHEMBL22915936 0.80 HPGD (0.53) HPGDNAMPTPKMKDM4ETSHR

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 1 patent. 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

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 606/4885NAMPT 1158/4885PKM 2708/4885

“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.