SCHEMBL6196281

SCHEMBL6196281

COCC1=C(C(=O)OC)C(c2c(F)ccc(F)c2F)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(OC)=N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MGLL Q99685 3/20 0.34
FAAH O00519 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32

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
SCHEMBL6196841 0.88 MEN1 (0.35) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL6784838 0.88 ADRA1A (0.39) MEN1KMT2AADORA3
SCHEMBL7529769 0.86 MGLL (0.36) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL6646229 0.80 ADRA1D (0.39) MEN1KMT2AADORA3BCL9CTNNB1
SCHEMBL7978679 0.78 PDE1C (0.39) ALDH1A1MAPTHTTMGLLFAAH
SCHEMBL6782160 0.77 ADRA1A (0.36) KMT2A
SCHEMBL6195392 0.76 CACNA1F (0.40) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL6194063 0.75 CACNA1F (0.41) MEN1KMT2A
SCHEMBL6247829 0.74 CACNA1F (0.36) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL3988068 0.74 MGLL (0.41) MEN1KMT2AALDH1A1MAPTHTT

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
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 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 (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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D GAA 2115/4885MEN1 2855/4885KMT2A 2886/4885

“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.