SCHEMBL5637142

SCHEMBL5637142

C=CCN(C)C/C=C/COc1ccc2c(c1)CCCN2C(=O)c1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.47
MAPT P10636 6/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
PDK1 Q15118 3/20 0.39
PDK2 Q15119 3/20 0.39
PDK3 Q15120 3/20 0.39
PDK4 Q16654 3/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TP53 P04637 3/20 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
SCHEMBL5637145 1.00 LSS (0.47) LSSMAPTALDH1A1HPGDHTT
SCHEMBL5639554 0.87 LSS (0.46) LSSMAPTLMNAHRH3
SCHEMBL5637065 0.87 LSS (0.47) LSSMAPTLMNA
SCHEMBL5637042 0.86 LSS (0.61) LSSMAPTALDH1A1HPGDTSHR
SCHEMBL5637038 0.86 LSS (0.61) LSSMAPTALDH1A1HPGDTSHR
SCHEMBL5637194 0.85 LSS (0.49) LSSMAPTALDH1A1HPGDTSHR
SCHEMBL5637190 0.85 LSS (0.49) LSSMAPTALDH1A1HPGDTSHR
SCHEMBL5639013 0.83 LSS (0.49) LSSMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5639020 0.83 LSS (0.49) LSSMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5637672 0.83 LSS (0.48) LSSMAPTALDH1A1HPGDTSHR

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 LSS 2/4885MAPT 3562/4885ALDH1A1 1712/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 LSS 2/4885MAPT 3562/4885ALDH1A1 1712/4885

“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.