SCHEMBL21303604

SCHEMBL21303604

NCCOc1ccc(CNc2cnc3[nH]cnc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.40
▸ LTA4H P09960 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CLK1 P49759 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ IP6K1 Q92551 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CACNA1B Q00975 3/20 0.36
▸ GAA P10253 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35

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
SCHEMBL21303624 0.88 ABL1 (0.42) ABL1KDM4EALDH1A1MAPTHPGD
SCHEMBL21303664 0.84 MAPT (0.51) ABL1KDM4EALDH1A1MAPTHPGD
SCHEMBL21303614 0.83 ABL1 (0.38) ABL1KDM4EALDH1A1MAPTHPGD
SCHEMBL21295263 0.82 PIK3CA (0.38) ABL1LTA4HKDM4EALDH1A1MAPT
SCHEMBL21303665 0.82 F2 (0.56) KDM4EALDH1A1MAPTIP6K1GAA
SCHEMBL21303605 0.81 ABL1 (0.42) ABL1KDM4EALDH1A1MAPTHPGD
SCHEMBL21303666 0.80 LTA4H (0.48) LTA4H
SCHEMBL21303627 0.79 RAB9A (0.47) ABL1KDM4EALDH1A1MAPTIP6K1
SCHEMBL22448314 0.79 IP6K1 (0.56) ABL1LTA4HALDH1A1IP6K1
SCHEMBL21303660 0.77 IP6K1 (0.51) ABL1CLK1DYRK1AIP6K1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392174-A1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2020-12-17 — — US disclosed
EP-3589632-B1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES Fraunhofer-Gesellschaft zur Förderung der Angewandten Forschung Ev (DE) 2020-09-23 — — EP disclosed
WO-2019162458-A1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2019-08-29 — — WO 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-20200392174-A1 NOVEL INHIBITORS OF BACTERIAL GLUTAMINYL CYCLASES FOR USE IN THE TREATMENT OF PERIODONTAL AND RELATED DISEASES GMPS, GLS, QPCT ABL1 3351/4885LTA4H 1949/4885KDM4E 2350/4885

“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.

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