SCHEMBL4829258

SCHEMBL4829258

CCOC(=O)CCC(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
ALOX15 P16050 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 2/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.46
ALPG P10696 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL7321110 0.83 ALOX15 (0.61) ALOX15MEN1KMT2AHTTGAA
SCHEMBL6821941 0.83 APOBEC3A (0.62) MAPTAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL6518969 0.82 TSHR (0.55) APOBEC3AAPOBEC3GALOX15GAALMNA
SCHEMBL2045374 0.82 PPID (0.67) MAPTAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL4833714 0.81 PPID (0.66) ALOX15MEN1KMT2AHTTGAA
SCHEMBL13991528 0.80 CYP4F2 (0.64) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL2850347 0.80 APOBEC3A (0.58) APOBEC3AAPOBEC3GMEN1KMT2AGAA
SCHEMBL4049519 0.80 LMNA (0.55) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL7188600 0.78 MAPT (0.55) MAPTKMT2AGAAALDH1A1LMNA
SCHEMBL17372440 0.77 APOBEC3A (0.59) APOBEC3AAPOBEC3GMEN1KMT2AL3MBTL1

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 6 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
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN 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 MAPT 3203/4885APOBEC3A 4642/4885APOBEC3G 4470/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAPT 3203/4885APOBEC3A 4642/4885APOBEC3G 4470/4885

“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.