SCHEMBL5637162

SCHEMBL5637162

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HRH3 Q9Y5N1 6/20 0.41
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 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 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
SCHEMBL5638962 0.99 KMT2A (0.44) KMT2AMAPTTP53HSD17B10HDAC1
SCHEMBL5638826 0.96 KMT2A (0.44) KMT2AMAPTTP53HSD17B10HDAC1
SCHEMBL5639788 0.93 NOTUM (0.43) KMT2AMAPTTP53HRH3LMNA
SCHEMBL5638012 0.86 MAOB (0.43) KMT2AMAPTTP53HSD17B10NPSR1
SCHEMBL5971559 0.84 HSD17B10 (0.48) MAPTTP53HSD17B10HPGDHRH3
SCHEMBL5639461 0.83 KMT2A (0.42) KMT2AMAPTTP53HSD17B10HDAC1
SCHEMBL5639468 0.83 KMT2A (0.42) KMT2AMAPTTP53HSD17B10HDAC1
SCHEMBL5971309 0.82 HSD17B10 (0.49) MAPTTP53HSD17B10HPGDHRH3
SCHEMBL5637520 0.82 LSS (0.51) KMT2A
SCHEMBL5639077 0.82 LSS (0.51) KMT2A

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 3562/4885TP53 488/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 KMT2A 2451/4885MAPT 3562/4885TP53 488/4885

“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.