Sugi Predict

Sugi Predict / Compounds / SCHEMBL4594912

SCHEMBL4594912

SCHEMBL4594912

O=C(O)C(=O)CCN1CCN(CCCO[N+](=O)[O-])CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.38
▸ KDM4E B2RXH2 9/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HTR1A P08908 1/20 0.33

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
SCHEMBL4593885 0.94 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL4594020 0.92 PAOX (0.38) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL4594077 0.90 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4594578 0.88 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL4593996 0.86 MMP2 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL4588394 0.84 APEX1 (0.36) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5494501 0.83 HSD17B10 (0.37) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL4593088 0.81 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL4593556 0.80 PAOX (0.38) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL4594008 0.77 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 — — US claimed
EP-1692107-A4 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-10-29 — — EP claimed
EP-1692107-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-08-23 — — EP claimed
WO-2005060603-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-07-07 — — WO claimed
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 — — 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-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 ALDH1A1 567/4885KDM4E 2405/4885SMN1; SMN2 2227/4885

“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.