SCHEMBL4834701

SCHEMBL4834701

CCN1C(=O)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.71
▸ MAOA P21397 3/20 0.67
▸ MAOB P27338 3/20 0.67
▸ LMNA P02545 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ COMT P21964 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ AMY1A P0DUB6 1/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ DPP4 P27487 1/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PPARG P37231 1/20 0.54

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
SCHEMBL4834698 1.00 AKR1B1 (0.71) AKR1B1MAOAMAOBLMNAMAPT
SCHEMBL6692200 0.83 PPARG (0.68) AKR1B1MAOAMAOBLMNAMAPT
SCHEMBL6692202 0.83 PPARG (0.68) AKR1B1MAOAMAOBLMNAMAPT
SCHEMBL4834121 0.82 AKR1B1 (0.61) AKR1B1MAOAMAOBLMNAMAPT
SCHEMBL4834130 0.82 AKR1B1 (0.61) AKR1B1MAOAMAOBLMNAMAPT
SCHEMBL2172983 0.81 AURKA (0.64) AKR1B1MAOAMAOBLMNAMAPT
SCHEMBL2172979 0.81 AURKA (0.64) AKR1B1MAOAMAOBLMNAMAPT
SCHEMBL15816886 0.81 PPARG (0.60) AKR1B1MAOAMAOBPTPN1PPARG
SCHEMBL15816888 0.81 PPARG (0.60) AKR1B1MAOAMAOBPTPN1PPARG
SCHEMBL15816884 0.81 PPARG (0.60) AKR1B1MAOAMAOBPTPN1PPARG

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 — — US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 — — US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 — — US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 — — EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 — — 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 AKR1B1 393/4885MAOA 1368/4885MAOB 881/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 AKR1B1 393/4885MAOA 1368/4885MAOB 881/4885

“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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