SCHEMBL22394792

SCHEMBL22394792

Cc1ccnc(CC(=O)c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 11/20 0.58
WNT3A P56704 8/20 0.58
ATM Q13315 1/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.53
PKM P14618 2/20 0.50
TSHR P16473 1/20 0.50
CTSZ Q9UBR2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL5695788 0.82 CTNNB1 (0.67) CTNNB1WNT3AATMRAB9ANPC1
SCHEMBL22394673 0.80 SMN1; SMN2 (0.61) CTNNB1WNT3AATMRAB9ANPC1
SCHEMBL22394706 0.78 CTNNB1 (0.67) CTNNB1WNT3AATMRAB9ANPC1
SCHEMBL6794489 0.77 NPC1 (0.59) CTNNB1WNT3AATMRAB9ANPC1
SCHEMBL8967686 0.75 KMT2A (0.42) RAB9ANPC1SMN1; SMN2HPGDPKM
SCHEMBL12688363 0.75 RAB9A (0.49) CTNNB1WNT3AATMRAB9ANPC1
SCHEMBL10027736 0.74 CTNNB1 (1.00) CTNNB1WNT3AATMRAB9ANPC1
SCHEMBL15968604 0.73 CTNNB1 (1.00) CTNNB1WNT3AATMHPGDPKM
SCHEMBL1092875 0.73 ATM (1.00) CTNNB1WNT3AATMRAB9ANPC1
SCHEMBL653025 0.72 PKM (0.87) CTNNB1WNT3AATMHPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704105-B9 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2025-03-05 EP disclosed
EP-3704105-B1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2024-10-16 EP disclosed
CN-111566099-B Antibacterial compounds 迪斯库瓦有限公司 2023-06-02 CN disclosed
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2022-11-24 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
EP-3704105-A1 ANTIBACTERIAL COMPOUNDS Discuva Ltd. (GB) 2020-09-09 EP disclosed
CN-111566099-A Antibacterial compounds 迪斯库瓦有限公司 2020-08-21 CN 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 (3 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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 CTNNB1 4159/4885WNT3A 4202/4885ATM 1979/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS CTNNB1 3726/4885WNT3A 3608/4885ATM 2809/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 CTNNB1 4159/4885WNT3A 4202/4885ATM 1979/4885

“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.