SCHEMBL22916019

SCHEMBL22916019

COc1cc(Cl)cc(C(=O)N2CCc3[nH]cnc3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
F2 P00734 4/20 0.40
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
GRM5 P41594 3/20 0.38
KCNH2 Q12809 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL22915902 0.92 KDM4E (0.48) KDM4ENAMPTALDH1A1GAANPC1
SCHEMBL24062105 0.89 NAMPT (0.44) KDM4EF2NAMPTGRM5KCNH2
SCHEMBL22915942 0.85 GRM5 (0.50) KDM4ENAMPTALDH1A1GRM5KCNH2
SCHEMBL22916012 0.83 ALDH1A1 (0.53) ALDH1A1GRM5
SCHEMBL22915934 0.83 HPGD (0.51) NAMPTALDH1A1GAANPC1
SCHEMBL20214653 0.80 GRM5 (0.50) KDM4ENAMPTALDH1A1GRM5
SCHEMBL24062095 0.79 NAMPT (0.47) KDM4ENAMPTALDH1A1GRM5
SCHEMBL22915968 0.78 MAPK1 (0.60) KDM4ENAMPTALDH1A1GAANPC1
SCHEMBL22915904 0.77 NAMPT (0.49) KDM4ENAMPTNPC1GRM5
SCHEMBL24062103 0.76 HPGD (0.51) KDM4ENAMPTTSHRP2RX7

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 KDM4E 2159/4885F2 3183/4885NAMPT 1158/4885

“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.