SCHEMBL6848554

SCHEMBL6848554

NC(=O)c1onc(C2CCCC2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.30

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
SCHEMBL18025742 0.87 PLAT (0.35) HTTLMNAMAPTHPGDMEN1
SCHEMBL6853026 0.79 LMNA (0.40) HTTLMNAMAPTHPGDMEN1
SCHEMBL18426329 0.72 S1PR3 (0.32) GAA
SCHEMBL15566870 0.71 MAPT (0.35) HTTMAPTHPGDMEN1KMT2A
SCHEMBL25623412 0.70 JAK2 (0.34) —
SCHEMBL7368052 0.69 LMNA (0.36) HTTLMNAMAPTHPGDMEN1
SCHEMBL4001733 0.69 SMN1; SMN2 (0.52) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL6366582 0.68 HCAR2 (0.39) HTTLMNAMAPTHPGDMEN1
SCHEMBL17619252 0.68 HTT (0.45) HTTLMNAMAPTHPGDMEN1
SCHEMBL15566566 0.66 SMN1; SMN2 (0.40) HTTLMNAMAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777416-B2 CYCLIC GUANOSINE 3',5'-MONOPHOPHATE METABOLIZING PHOSPHO-DIESTERASE INHIBITORS; HAVING HYDROXY- OR ALKOXY- BENZENE SULFONAMIDE FUNCTIONALITY BAYER AKTIENGESELLSCHAFT (DE) 2004-08-17 — — US disclosed
US-20030149033-A1 Isoxazolo pyrimidinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2003-08-07 — — US 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-20030149033-A1 Isoxazolo pyrimidinones and the use thereof DHFR, HPRT1, DPYD HTT 3303/4885LMNA 4415/4885MAPT 3299/4885

“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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