SCHEMBL5708802

SCHEMBL5708802

COc1ccc2c(c1O)CCN(C(=S)NCCc1ccccc1)C2

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ ALDH1A1 P00352 7/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 4/20 0.48
▸ POLB P06746 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL6100830 0.94 MEN1 (0.54) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5708871 0.90 SMN1; SMN2 (0.49) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6102691 0.90 MEN1 (0.48) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5708841 0.90 MEN1 (0.57) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5708762 0.86 NPC1 (0.68) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5708725 0.85 MAPT (0.49) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5708842 0.81 MEN1 (0.50) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6102910 0.80 KMT2A (0.60) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5708843 0.80 NPC1 (0.59) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5708803 0.78 NPC1 (0.53) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1

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 NPC1 533/4885MEN1 1409/4885KMT2A 3030/4885
US-20060040919-A1 Bronchorelaxing compounds CHRM3, GPR3, CHRM2 NPC1 354/4885MEN1 2210/4885KMT2A 3875/4885

“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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