SCHEMBL13545858

SCHEMBL13545858

O=C(c1noc2c1CCCC2)N(Cc1ccco1)C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.59
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GAA P10253 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SCD5 Q86SK9 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
SCHEMBL13545877 0.87 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1MAPK1KMT2ALMNA
SCHEMBL13545866 0.78 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPK1KMT2ALMNA
SCHEMBL13545864 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KMT2ALMNANPC1
SCHEMBL13545860 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPK1KMT2ALMNA
SCHEMBL13545868 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2ALMNANPC1
SCHEMBL13545869 0.75 SMN1; SMN2 (0.98) SMN1; SMN2ALDH1A1MAPK1KMT2ALMNA
SCHEMBL18997391 0.72 S1PR1 (0.61) SMN1; SMN2ALDH1A1MAPK1KMT2ALMNA
SCHEMBL13545870 0.72 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1MAPK1KMT2ALMNA
SCHEMBL13545809 0.71 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2ALMNANPC1
SCHEMBL18997443 0.71 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPK1KMT2ARAB9A

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 153/4885ALDH1A1 2977/4885MAPK1 2172/4885

“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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