SCHEMBL5638962

SCHEMBL5638962

O=C(Oc1ccc(Cl)cc1)N1CCCc2cc(OCCCCBr)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPT P10636 5/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL5637162 0.99 KMT2A (0.43) KMT2AMAPTHSD17B10TP53HDAC1
SCHEMBL5638826 0.97 KMT2A (0.44) KMT2AMAPTHSD17B10TP53HDAC1
SCHEMBL5639788 0.94 NOTUM (0.43) KMT2AMAPTTP53POLBLMNA
SCHEMBL5638012 0.87 MAOB (0.43) KMT2AMAPTHSD17B10TP53NPSR1
SCHEMBL5639468 0.84 KMT2A (0.42) KMT2AMAPTHSD17B10TP53HDAC1
SCHEMBL5639461 0.84 KMT2A (0.42) KMT2AMAPTHSD17B10TP53HDAC1
SCHEMBL5971309 0.83 HSD17B10 (0.49) MAPTHSD17B10TP53HPGDKDM4E
SCHEMBL7218398 0.82 MAPT (0.46) KMT2AMAPTHSD17B10TP53HPGD
SCHEMBL5971559 0.82 HSD17B10 (0.48) MAPTHSD17B10TP53HPGDKDM4E
SCHEMBL5639200 0.82 LSS (0.49) KMT2AMEN1

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 9 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
CN-1208322-C Indoline and tetrahydroquinoline derivatives HOFFMANN LA ROCHE (CH) 2005-06-29 CN 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
CN-1481366-A Dihydroindole and tetrahydroquinoline derivatives - 2004-03-10 CN 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 KMT2A 2451/4885MAPT 3562/4885HSD17B10 21/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 KMT2A 2451/4885MAPT 3562/4885HSD17B10 21/4885

“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.