SCHEMBL5637769

SCHEMBL5637769

C=CCN(C)C/C=C/COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAPT P10636 6/20 0.45
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
TP53 P04637 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
LMNA P02545 1/20 0.41
LSS P48449 1/20 0.41

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
SCHEMBL5637771 1.00 MEN1 (0.60) MEN1KMT2ACYP11B1CYP11B2HRH3
SCHEMBL6400417 0.87 MEN1 (0.43) MEN1KMT2AHRH3MAPTTP53
SCHEMBL6429091 0.87 MEN1 (0.43) MEN1KMT2AHRH3MAPTTP53
SCHEMBL27580784 0.86 MEN1 (0.60) MEN1KMT2ACYP11B1CYP11B2HRH3
SCHEMBL5639302 0.85 LSS (0.47) MEN1KMT2AHRH3MAPTBCL2L1
SCHEMBL5639304 0.85 LSS (0.47) MEN1KMT2AHRH3MAPTBCL2L1
SCHEMBL5638718 0.85 MEN1 (0.59) MEN1KMT2ACYP11B1CYP11B2HRH3
SCHEMBL5637672 0.81 LSS (0.48) KMT2AMAPTTP53LMNALSS
SCHEMBL5639225 0.81 LSS (0.44) MEN1KMT2AMAPTTP53LSS
SCHEMBL5639229 0.81 LSS (0.44) MEN1KMT2AMAPTTP53LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102007-B2 Dihydroindole and tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-09-05 US disclosed
EP-1358162-B1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 US disclosed
US-6706751-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
EP-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 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 (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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 MEN1 402/4885KMT2A 2451/4885CYP11B1 13/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 MEN1 402/4885KMT2A 2451/4885CYP11B1 13/4885

“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.