SCHEMBL22440183

SCHEMBL22440183

Clc1ccc(CNc2cnc3nc[nH]c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.47
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GFER P55789 1/20 0.43
▸ DHFR P00374 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ P2RY14 Q15391 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL22440191 0.86 QPCT (0.49) QPCTGAACDC7DBF4
SCHEMBL22440192 0.86 DHFR (0.51) QPCTLMNADHFRTSHRCYP1A2
SCHEMBL22440204 0.85 CDC7 (0.56) KMT2ACDC7DBF4
SCHEMBL22440207 0.83 MAPT (0.53) QPCTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL22440199 0.80 MAPT (0.40) QPCTRAB9ANPC1MAPTKDM4E
SCHEMBL21295263 0.80 PIK3CA (0.38) QPCTMAPTDHFRKDM4EALDH1A1
SCHEMBL21303627 0.79 RAB9A (0.47) QPCTRAB9ANPC1POLBLMNA
SCHEMBL2539376 0.79 QPCT (0.67) QPCTRAB9ANPC1POLBLMNA
SCHEMBL22440210 0.78 LTA4H (0.52) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL22440202 0.78 NPC1 (0.43) NPC1LMNADHFRTSHRCYP1A2

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-11958871-B2 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) 2024-04-16 — — US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 QPCT 3/4885RAB9A 667/4885NPC1 3544/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT QPCT 3/4885RAB9A 660/4885NPC1 3478/4885

“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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