SCHEMBL25330864

SCHEMBL25330864

CCOC(=O)c1ccc(C2CC2)[n+]([O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.44
FDFT1 P37268 1/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL31325033 1.00 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL9529134 0.79 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL30884947 0.76 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL3191323 0.76 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL30884942 0.76 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL30884946 0.76 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL23154796 0.75 CA12 (0.42) CA1CA2CA12CA7CA9
SCHEMBL30884941 0.75 KMT2A (0.49) CA1CA2CA12CA7CA9
SCHEMBL21354910 0.74 CA12 (0.43) CA1CA2CA12CA7CA9
SCHEMBL4003420 0.73 CA12 (0.59) CA1CA2CA12CA7CA9

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-20250066369-A1 BICYCLIC PHTHALAZIN-1(2H)-ONE DERIVATIVES AND RELATED USES NodThera Limited (GB) 2025-02-27 US disclosed
EP-4460505-A1 BICYCLIC PHTHALAZIN-1(2H)-ONE DERIVATIVES AND RELATED USES Nodthera Limited (GB) 2024-11-13 EP disclosed
WO-2023133271-A1 BICYCLIC PHTHALAZIN-1(2H)-ONE DERIVATIVES AND RELATED USES NodThera Limited (GB) 2023-07-13 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-20250066369-A1 BICYCLIC PHTHALAZIN-1(2H)-ONE DERIVATIVES AND RELATED USES IL1B, NLRP3, IL1A CA1 3581/4885CA2 3118/4885CA12 4267/4885

“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.