SCHEMBL3303205

SCHEMBL3303205

CCOC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[C@H]2C(CC)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
GPR119 Q8TDV5 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ELANE P08246 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
FKBP1A P62942 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
SCHEMBL3303210 1.00 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AGPR119ALDH1A1
SCHEMBL3300496 0.88 GRIK1 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1TP53
SCHEMBL3309302 0.85 MEN1 (0.38) SMN1; SMN2MEN1KMT2AGPR119ALDH1A1
SCHEMBL3297263 0.84 MEN1 (0.34) SMN1; SMN2MEN1KMT2AGPR119ALDH1A1
SCHEMBL3391187 0.84 MEN1 (0.39) SMN1; SMN2MEN1KMT2AGPR119ALDH1A1
SCHEMBL3305704 0.83 GRIK1 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1TP53
SCHEMBL3305097 0.82 GRIK1 (0.41) MEN1KMT2AALDH1A1TP53HPGD
SCHEMBL5864805 0.77 PDE4D (0.50) SMN1; SMN2MEN1KMT2AGPR119ALDH1A1
SCHEMBL3303406 0.76 GRIK1 (0.35) GPR119
SCHEMBL3301475 0.75 FPR2 (0.36) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS MARTINEZ-PEREZ JOSE ANTONIO 2010-04-15 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-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 SMN1; SMN2 828/4885MEN1 1115/4885KMT2A 1887/4885

“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.