SCHEMBL13545772

SCHEMBL13545772

O=C(NCc1ccc(O)cc1)c1noc2c1CCCC2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.81
LMNA P02545 3/20 0.81
RAB9A P51151 7/20 0.79
ALDH1A1 P00352 6/20 0.79
SMN1; SMN2 Q16637 6/20 0.79
NPC1 O15118 6/20 0.79
GAA P10253 4/20 0.79
HPGD P15428 2/20 0.79
TSHR P16473 2/20 0.74
MAPT P10636 2/20 0.74
ATM Q13315 1/20 0.72
MEN1 O00255 2/20 0.65
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ESR1 P03372 1/20 0.56
POLB P06746 1/20 0.56
NR4A1 P22736 1/20 0.56
RECQL P46063 1/20 0.56
ESR2 Q92731 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL13545783 0.90 KMT2A (1.00) KMT2ALMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL13545832 0.88 GAA (1.00) KMT2ALMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL13545833 0.88 ALDH1A1 (1.00) KMT2ALMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL3580641 0.87 ALDH1A1 (0.78) KMT2ALMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL13545873 0.85 MAPT (1.00) KMT2ALMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL13545878 0.82 GAA (1.00) KMT2ALMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL13545824 0.81 KMT2A (0.72) KMT2ALMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL13545782 0.81 ALDH1A1 (1.00) KMT2ALMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL13545789 0.81 GAA (0.77) KMT2ALMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL13545781 0.79 KMT2A (1.00) KMT2ALMNARAB9AALDH1A1SMN1; SMN2

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 KMT2A 1405/4885LMNA 1875/4885RAB9A 1951/4885

“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.