SCHEMBL5637596

SCHEMBL5637596

C=CCN(C)CCCCCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
MAPT P10636 6/20 0.45
TP53 P04637 6/20 0.41
LMNA P02545 1/20 0.41
RORC P51449 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCL1 Q07820 2/20 0.39
LSS P48449 1/20 0.39
BCL2L1 Q07817 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
SCHEMBL5638472 0.91 MAPT (0.42) MEN1KMT2ACYP11B1CYP11B2MAPT
SCHEMBL5638718 0.87 MEN1 (0.59) MEN1KMT2ACYP11B1CYP11B2MAPT
SCHEMBL6785660 0.85 MEN1 (0.51) MEN1KMT2ACYP11B1CYP11B2MAPT
SCHEMBL6399380 0.81 NPC1 (0.39) MAPTTP53SMN1; SMN2LSS
SCHEMBL5636747 0.79 GAA (0.39) MAPTTP53RORCSMN1; SMN2LSS
SCHEMBL5637771 0.77 MEN1 (0.60) MEN1KMT2ACYP11B1CYP11B2MAPT
SCHEMBL5637769 0.77 MEN1 (0.60) MEN1KMT2ACYP11B1CYP11B2MAPT
SCHEMBL5637238 0.76 TP53 (0.54) MAPTTP53LMNALSS
SCHEMBL27598377 0.75 MAPT (0.42) MEN1KMT2ACYP11B1CYP11B2MAPT
SCHEMBL5638263 0.74 THRB (0.42) MAPTTP53LMNALSS

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.