SCHEMBL2069975

SCHEMBL2069975

O=S(=O)(Cc1nnc(C2CC2)o1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
QPCT Q16769 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TP53 P04637 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL2069438 0.75 NPC1 (0.65) CYP2D6NPC1RAB9ATDP1MEN1
SCHEMBL10108701 0.73 NPC1 (0.55) CYP2D6NPC1RAB9ATDP1MEN1
SCHEMBL2069511 0.72 NPC1 (0.57) CYP2D6NPC1RAB9ATDP1MEN1
SCHEMBL2070814 0.72 NPC1 (0.53) CYP2D6NPC1RAB9ATDP1MEN1
SCHEMBL2069519 0.69 NPC1 (0.50) CYP2D6NPC1RAB9ATDP1MEN1
SCHEMBL2072069 0.67 NPC1 (0.48) CYP2D6NPC1RAB9ATDP1MEN1
SCHEMBL14168537 0.65 NPC1 (0.49) CYP2D6NPC1RAB9ATDP1MEN1
SCHEMBL13543047 0.65 PLAT (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL2069593 0.65 NPC1 (0.56) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL2069838 0.65 NPC1 (0.52) CYP2D6NPC1RAB9ATDP1MEN1

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 CYP2D6 1092/4885NPC1 92/4885RAB9A 3611/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 CYP2D6 1092/4885NPC1 92/4885RAB9A 3611/4885

“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.