SCHEMBL13545784

SCHEMBL13545784

COc1ccccc1CNC(=O)c1noc2c1CCCC2

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
MAPT P10636 1/20 0.67
KMT2A Q03164 5/20 0.66
RAB9A P51151 4/20 0.66
LMNA P02545 3/20 0.66
ATM Q13315 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.65
NPC1 O15118 3/20 0.65
HPGD P15428 2/20 0.65
ALDH1A1 P00352 6/20 0.61
GAA P10253 4/20 0.61
MEN1 O00255 1/20 0.59
MAPK1 P28482 1/20 0.56
DGAT2 Q96PD7 1/20 0.55
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL13545763 0.89 KMT2A (0.64) TSHRMAPTKMT2ARAB9ALMNA
SCHEMBL13545762 0.88 KMT2A (0.62) TSHRMAPTKMT2ARAB9ALMNA
SCHEMBL13545764 0.86 KMT2A (0.72) TSHRMAPTKMT2ARAB9ALMNA
SCHEMBL13545766 0.86 KMT2A (0.62) TSHRMAPTKMT2ARAB9ALMNA
SCHEMBL14140607 0.86 KMT2A (0.62) TSHRMAPTKMT2ARAB9ALMNA
SCHEMBL13545776 0.86 ALDH1A1 (0.68) TSHRMAPTKMT2ARAB9ALMNA
SCHEMBL13545843 0.85 KMT2A (0.63) TSHRMAPTKMT2ARAB9ALMNA
SCHEMBL13545823 0.85 KMT2A (0.58) TSHRMAPTKMT2ARAB9ALMNA
SCHEMBL13545797 0.84 ALDH1A1 (0.68) TSHRMAPTKMT2ARAB9ALMNA
SCHEMBL13545773 0.84 KMT2A (0.72) TSHRMAPTKMT2ARAB9ALMNA

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 TSHR 4500/4885MAPT 807/4885KMT2A 1405/4885

“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.