SCHEMBL13545879

SCHEMBL13545879

CCOCCCN(Cc1ccco1)C(=O)c1noc2c1CC(C)CC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPT P10636 8/20 0.45
▸ TP53 P04637 4/20 0.45
▸ THRB P10828 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GAA P10253 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RIPK1 Q13546 2/20 0.37

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
SCHEMBL13545880 0.92 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MAPTTP53THRB
SCHEMBL13545868 0.88 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTTP53THRB
SCHEMBL13545881 0.87 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1MAPTTP53THRB
SCHEMBL13545882 0.86 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1MAPTTP53THRB
SCHEMBL13545877 0.79 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1MAPTTP53THRB
SCHEMBL13545864 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPTTP53THRB
SCHEMBL13545876 0.73 MAPT (0.53) SMN1; SMN2ALDH1A1MAPTTP53THRB
SCHEMBL13545780 0.73 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPTTP53TDP1
SCHEMBL13545866 0.73 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPTTP53TDP1
SCHEMBL13545860 0.71 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTTP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2010-01-28 — — US disclosed
US-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2010-01-28 — — 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-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN CCNB3, TUBB3, CCNB1 SMN1; SMN2 153/4885ALDH1A1 2977/4885MAPT 807/4885

“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.

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