SCHEMBL22916012

SCHEMBL22916012

COc1cccc(C(=O)N2CCc3[nH]cnc3C2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
GRM5 P41594 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ABL1 P00519 5/20 0.49
BCR P11274 5/20 0.49
PDE4B Q07343 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL20213867 0.92 CDK4 (0.56) ALDH1A1HPGDCDK4CCND1GRM5
SCHEMBL22915902 0.89 KDM4E (0.48) ALDH1A1
SCHEMBL20214648 0.87 KMT2A (0.47) ALDH1A1HPGDCDK4CCND1GRM5
SCHEMBL22915934 0.86 HPGD (0.51) ALDH1A1HPGDL3MBTL1PDE4BDRD2
SCHEMBL22915969 0.85 HPGD (0.51) HPGDCDK4CCND1GRM5L3MBTL1
SCHEMBL22916019 0.83 KDM4E (0.41) ALDH1A1GRM5
SCHEMBL22915968 0.83 MAPK1 (0.60) ALDH1A1HPGDL3MBTL1PDE4B
SCHEMBL20214653 0.83 GRM5 (0.50) ALDH1A1HPGDGRM5L3MBTL1CA12
SCHEMBL22915971 0.83 SLC6A7 (0.52) ALDH1A1HPGDCDK4CCND1
SCHEMBL20214414 0.83 SMN1; SMN2 (0.57) ALDH1A1HPGDCDK4CCND1GRM5

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 ALDH1A1 2706/4885HPGD 606/4885CDK4 4599/4885

“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.