SCHEMBL6795778

SCHEMBL6795778

CCCc1c(C(=O)OCC)c2cc(O)ccc2n1C

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALOX15 P16050 2/20 0.67
GAA P10253 5/20 0.65
LMNA P02545 2/20 0.65
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
HPGD P15428 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPK1 P28482 1/20 0.55

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
Mecarbinate SCHEMBL29380431 0.85 LMNA (0.72) ALOX5MEN1KMT2AALOX15GAA
Mecarbinate SCHEMBL2109102 0.85 LMNA (0.72) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL28726995 0.83 ALOX5 (0.61) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL28259795 0.81 ALOX5 (1.00) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL28726996 0.81 ALOX5 (0.60) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL25943143 0.79 ALOX5 (0.56) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL9095202 0.77 ALOX5 (0.53) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL27608072 0.77 GAA (0.58) ALOX5MEN1KMT2AALOX15GAA
SCHEMBL25941571 0.74 SMN1; SMN2 (0.54) ALOX5MEN1KMT2AALOX15LMNA
Hydrochloric Acid SCHEMBL31397817 0.74 KDM4E (0.64) ALOX5MEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812228-B2 TREATMENT OF PROGRESSIVE NEURODEGENERATIVE MOVEMENT DISORDERS CHARACTERIZED BY HYPOKINESIA, TREMOR, AND MUSCULAR RIGIDITY WARNER-LAMBERT COMPANY 2004-11-02 US disclosed
EP-1282625-B1 BENZOXAZINES FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE WARNER LAMBERT CO (US) 2004-06-30 EP disclosed
US-20030220335-A1 Benzoxazines for use in the treatment of parkinson's disease WARNER-LAMBERT COMPANY 2003-11-27 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-20030220335-A1 Benzoxazines for use in the treatment of parkinson's disease PARK7, HAX1, SNCA ALOX5 710/4885MEN1 4615/4885KMT2A 1879/4885

“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.