SCHEMBL22769348

SCHEMBL22769348

Cn1nc(CO)cc1-c1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.45
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
CA9 Q16790 9/20 0.39
PTGS2 P35354 4/20 0.39
GPR52 Q9Y2T5 1/20 0.32
MPO P05164 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32

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
SCHEMBL21807369 0.83 CSNK1D (0.46) NR1H4CA1CA2CA9PTGS2
SCHEMBL5026993 0.83 PTGS2 (0.51) NR1H4CA1CA2CA9PTGS2
SCHEMBL1779503 0.83 PTGS2 (0.52) NR1H4CA1CA2CA9PTGS2
SCHEMBL20805341 0.82 NR1H4 (0.44) NR1H4CA1CA2CA9PTGS2
SCHEMBL22722186 0.77 NR1H4 (0.40) NR1H4CA1CA2CA9PTGS2
SCHEMBL6163522 0.73 KCNH2 (0.40) NR1H4CA1CA2CA9PTGS2
SCHEMBL21792131 0.72
SCHEMBL2764186 0.70 FYN (0.40) CA1CA2CA9
SCHEMBL5396378 0.69 NR1H4 (0.41) NR1H4CA1CA2CA9PTGS2
SCHEMBL13703227 0.69 KDM5A (0.48) NR1H4CA1CA2CA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074507-B Compounds as Antibiotics 山东亨利医药科技有限责任公司 2023-09-05 CN disclosed
US-11498909-B2 Compound acting as antibiotics KBP BIOSCIENCES CO., LTD. (CN) 2022-11-15 US disclosed
US-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS KBP BIOSCIENCES CO., LTD. (CN) 2020-12-17 US disclosed
US-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS KBP BIOSCIENCES CO., LTD. (CN) 2020-12-17 US disclosed
EP-3750881-A1 COMPOUND ACTING AS ANTIBIOTICS KBP Biosciences Co., Ltd. (CN) 2020-12-16 EP disclosed
CN-112074507-A Compounds as antibiotics 山东亨利医药科技有限责任公司 2020-12-11 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 (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-11498909-B2 Compound acting as antibiotics PEPD, NRDC, DPP4 NR1H4 58/4885CA1 4040/4885CA2 2864/4885
US-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS PEPD, NRDC, DPP4 NR1H4 58/4885CA1 4040/4885CA2 2864/4885

“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.