SCHEMBL5708725

SCHEMBL5708725

COc1ccc2c(c1O)CCN(C(=S)NCCc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL5708841 0.89 MEN1 (0.57) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL5708964 0.87 MAPT (0.53) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL5708871 0.85 SMN1; SMN2 (0.49) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL6102691 0.85 MEN1 (0.48) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL5708802 0.85 NPC1 (0.61) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL6100830 0.84 MEN1 (0.54) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL6365227 0.81 MAPT (0.53) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL5708707 0.79 MAPT (0.69) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL5708842 0.77 MEN1 (0.50) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL19408052 0.77 KMT2A (0.60) MAPTKMT2AMEN1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708999-A1 BRONCHORELAXING COMPOUNDS RESPIRATORIUS AB (SE) 2006-10-11 — — EP disclosed
US-20060040919-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2006-02-23 — — US disclosed
WO-2005070887-A1 BRONCHORELAXING COMPOUNDS RESPIRATORIUS AB (SE) 2005-08-04 — — WO disclosed
US-20050165004-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2005-07-28 — — 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 (2 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-20050165004-A1 Bronchorelaxing compounds GPR6, CHRM3, NR1H3 MAPT 4611/4885KMT2A 3030/4885MEN1 1409/4885
US-20060040919-A1 Bronchorelaxing compounds CHRM3, GPR3, CHRM2 MAPT 4617/4885KMT2A 3875/4885MEN1 2210/4885

“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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