SCHEMBL5639461

SCHEMBL5639461

O=C(Oc1ccc(Cl)cc1)N1CCCc2cc(OC/C=C/CBr)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
TP53 P04637 4/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 1/20 0.42
PDK1 Q15118 3/20 0.40
PDK2 Q15119 3/20 0.40
PDK3 Q15120 3/20 0.40
PDK4 Q16654 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NR3C1 P04150 1/20 0.39
ESR1 P03372 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5639468 1.00 KMT2A (0.42) KMT2ATP53MAPTHSD17B10PDK1
SCHEMBL5638826 0.85 KMT2A (0.44) KMT2ATP53MAPTHSD17B10PDK1
SCHEMBL5639229 0.84 LSS (0.44) KMT2ATP53MAPTHSD17B10PDK1
SCHEMBL5639225 0.84 LSS (0.44) KMT2ATP53MAPTHSD17B10PDK1
SCHEMBL5638962 0.84 KMT2A (0.44) KMT2ATP53MAPTHSD17B10PDK1
SCHEMBL5639611 0.83 HSD17B10 (0.45) TP53MAPTHSD17B10PDK1PDK2
SCHEMBL5639615 0.83 HSD17B10 (0.45) TP53MAPTHSD17B10PDK1PDK2
SCHEMBL5637162 0.83 KMT2A (0.43) KMT2ATP53MAPTHSD17B10PDK1
SCHEMBL5637937 0.79 PDK1 (0.52) KMT2ATP53MAPTHSD17B10PDK1
SCHEMBL5638012 0.78 MAOB (0.43) KMT2ATP53MAPTHSD17B10KDM4E

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 5 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
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 KMT2A 2451/4885TP53 488/4885MAPT 3562/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 KMT2A 2451/4885TP53 488/4885MAPT 3562/4885

“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.