SCHEMBL21755554

SCHEMBL21755554

CCOc1ccc(S(=O)(=O)N2CCN(CCO[N+](=O)[O-])CC2)cc1/C(N)=N/N

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.52
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL18890998 0.86 PDE5A (0.50) PDE5ALMNAHTTALDH1A1SMN1; SMN2
SCHEMBL18891204 0.84 TSHR (0.56) PDE5ALMNAHTTALDH1A1SMN1; SMN2
SCHEMBL6880703 0.78 KMT2A (0.55) LMNAHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL18430905 0.77 TSHR (0.55) PDE5ALMNAHTTALDH1A1SMN1; SMN2
SCHEMBL22279268 0.75 PDE5A (0.45) PDE5ALMNAHTTALDH1A1SMN1; SMN2
SCHEMBL2295550 0.75 KMT2A (0.60) LMNAHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1230603 0.74 KMT2A (0.56) LMNAHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5875796 0.73 MEN1 (0.60) LMNAHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL6639187 0.73 KMT2A (0.54) PDE5ALMNAHTTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2290641 0.73 KMT2A (0.56) LMNAHTTALDH1A1SMN1; SMN2KMT2A

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-20220169655-A1 2-PHENYL-3,4-DIHYDROPYRROLO[2,1 -F] [1,2,4]TRIAZINONE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2022-06-02 US disclosed
US-10570137-B2 2-phenyl-3,4-dihydropyrrolo[2,1 -F] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof TOPADUR PHARMA AG (CH) 2020-02-25 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 (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-20220169655-A1 2-PHENYL-3,4-DIHYDROPYRROLO[2,1 -F] [1,2,4]TRIAZINONE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, GNAO1, PDE3A PDE5A 9/4885LMNA 2511/4885HTT 4356/4885
US-10570137-B2 2-phenyl-3,4-dihydropyrrolo[2,1 -F] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof PDE7A, GNAO1, PDE3A PDE5A 9/4885LMNA 2511/4885HTT 4356/4885

“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.