SCHEMBL4879328

SCHEMBL4879328

O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)c(CO)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
LMNA P02545 6/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.45
GAA P10253 4/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL27584960 0.89 ALDH1A1 (0.50) ALDH1A1LMNAKDM4ETDP1HTT
SCHEMBL3245678 0.82 HTT (0.50) ALDH1A1LMNAKDM4ETDP1HTT
SCHEMBL5635329 0.82 HTT (0.50) ALDH1A1LMNAKDM4ETDP1HTT
SCHEMBL831849 0.82 ALDH1A1 (0.50) ALDH1A1LMNAKDM4ETDP1HTT
SCHEMBL854197 0.82 ALDH1A1 (0.59) ALDH1A1LMNAKDM4ETDP1HTT
SCHEMBL7805532 0.82 ALDH1A1 (0.59) ALDH1A1LMNAKDM4ETDP1HTT
SCHEMBL16824876 0.81 ALDH1A1 (0.67) ALDH1A1LMNAHTTGAASMN1; SMN2
SCHEMBL1811333 0.80 MEN1 (0.51) ALDH1A1LMNAKDM4ETDP1HTT
SCHEMBL30310810 0.80 ALDH1A1 (0.48) ALDH1A1LMNAKDM4ETDP1HTT
SCHEMBL2074082 0.79 ALDH1A1 (0.52) ALDH1A1LMNATDP1HTTGAA

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-20080221107-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20070078125-A1 Arylamine mch r1 antagonists GLAXO GROUP LIMITED 2007-04-05 US disclosed
US-20070078125-A1 Arylamine mch r1 antagonists GLAXO GROUP LIMITED 2007-04-05 US disclosed
US-20070078125-A1 Arylamine mch r1 antagonists GLAXO GROUP LIMITED 2007-04-05 US disclosed
EP-1678184-A1 3-(4-AMINOPHENYL)THIENOPYRIMID-4-ONE DERIVATIVES AS MCH R1 ANTAGONISTS FOR THE TREATMENT OF OBESITY, DIABETES, DEPRESSION AND ANXIETY GLAXO GROUP LIMITED (GB) 2006-07-12 EP disclosed
WO-2005042541-A1 3-(4-AMINOPHENYL) THIENOPYRIMID-4-ONE DERIVATIVES AS MCH R1 ANTAGONISTS FOR THE TREATMENT OF OBESITY, DIABETES, DEPRESSION AND ANXIETY GLAXO GROUP LIMITED (GB) 2005-05-12 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-20080221107-A1 Therapeutic Agents HTT, ACHE, GRIN2A ALDH1A1 2368/4885LMNA 3656/4885KDM4E 2711/4885
US-20070078125-A1 Arylamine mch r1 antagonists MCHR1, MCHR2, MC1R ALDH1A1 736/4885LMNA 3794/4885KDM4E 1025/4885

“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.