SCHEMBL13545860

SCHEMBL13545860

CC(C)CCN(Cc1ccco1)C(=O)c1noc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ MAPT P10636 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13545866 0.88 SMN1; SMN2 (0.55) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL13545864 0.87 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL13545882 0.86 ALDH1A1 (0.59) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL13545868 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL13545870 0.79 L3MBTL1 (0.49) SMN1; SMN2MAPTTP53KMT2AALDH1A1
SCHEMBL13545858 0.76 SMN1; SMN2 (0.59) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL13545881 0.74 ALDH1A1 (0.61) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL13545880 0.73 SMN1; SMN2 (0.60) SMN1; SMN2MAPTTP53ALDH1A1LMNA
SCHEMBL13545799 0.72 LMNA (0.54) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL13545879 0.71 SMN1; SMN2 (0.58) SMN1; SMN2MAPTTP53KMT2AMEN1

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-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
WO-2008080455-A1 TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2008-07-10 — — 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-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN CCNB3, TUBB3, CCNB1 SMN1; SMN2 153/4885MAPT 807/4885TP53 711/4885

“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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