SCHEMBL22915902

SCHEMBL22915902

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
NAMPT P43490 1/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PDGFRB P09619 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 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
SCHEMBL22916019 0.92 KDM4E (0.41) KDM4EALDH1A1GAATDP1TSHR
SCHEMBL22916012 0.89 ALDH1A1 (0.53) ALDH1A1
SCHEMBL22915934 0.88 HPGD (0.51) ALDH1A1GAANAMPTNPC1
SCHEMBL22915968 0.82 MAPK1 (0.60) KDM4EALDH1A1GAANAMPTTP53
SCHEMBL24062105 0.81 NAMPT (0.44) KDM4ENAMPTSMN1; SMN2
SCHEMBL20213867 0.80 CDK4 (0.56) ALDH1A1NAMPT
SCHEMBL22915972 0.80 NAMPT (0.48) KDM4EALDH1A1NAMPTSMN1; SMN2
SCHEMBL22915904 0.80 NAMPT (0.49) KDM4ENAMPTNPC1RAB9APKM
SCHEMBL22916015 0.79 POLB (0.57) KDM4EALDH1A1TSHRNAMPTTP53
SCHEMBL22915942 0.79 GRM5 (0.50) KDM4EALDH1A1NAMPTSMN1; SMN2

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 2159/4885ALDH1A1 2706/4885GAA 334/4885

“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.