SCHEMBL2070164

SCHEMBL2070164

O=S(=O)(Cc1nc(-c2ccccc2)no1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ TSHR P16473 4/20 0.58
▸ MAPK1 P28482 4/20 0.58
▸ HTT P42858 2/20 0.58
▸ NOTUM Q6P988 1/20 0.57
▸ NPC1 O15118 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MCOLN3 Q8TDD5 1/20 0.50
▸ CASP3 P42574 1/20 0.49

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
SCHEMBL1272686 0.83 NOTUM (0.58) MAPTTSHRMAPK1HTTNOTUM
SCHEMBL1272687 0.83 NOTUM (0.58) MAPTTSHRMAPK1HTTNOTUM
SCHEMBL2069406 0.79 NPC1 (0.49) MAPTHTTNPC1RAB9ACYP2C19
SCHEMBL2089284 0.76 NOTUM (0.68) MAPTTSHRMAPK1NOTUMNPC1
SCHEMBL12477652 0.76 NOTUM (0.69) MAPTTSHRMAPK1HTTNOTUM
SCHEMBL2071610 0.76 NPC1 (0.43) MAPTTSHRMAPK1HTTNPC1
Hydrochloric Acid SCHEMBL5656477 0.75 NOTUM (0.67) MAPTTSHRMAPK1NOTUMNPC1
SCHEMBL3371512 0.74 TSHR (0.39) MAPTTSHRMAPK1HTTNOTUM
SCHEMBL91541 0.73 NOTUM (0.68) MAPTTSHRMAPK1NOTUMNPC1
SCHEMBL655414 0.73 NOTUM (0.68) MAPTTSHRMAPK1NOTUMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1938273-B Tetrahydrocarbazoles and derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 — — CN disclosed
US-7906546-B2 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-15 — — US disclosed
US-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES DEHMLOW HENRIETTA 2010-08-26 — — US disclosed
EP-1732892-B1 TETRAHYDROCARBAZOLES AND DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-09-17 — — EP disclosed
CN-1938273-A Tetrahydrocarbazoles and derivatives HOFFMANN LA ROCHE (CH) 2007-03-28 — — CN disclosed
EP-1732892-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-12-20 — — EP disclosed
WO-2005092856-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 — — WO disclosed
US-20050215577-A1 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. 2005-09-29 — — 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-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES NR1H3, NR1H2, NR1H4 MAPT 920/4885TSHR 1474/4885MAPK1 2434/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 MAPT 920/4885TSHR 1474/4885MAPK1 2434/4885

“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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