SCHEMBL5637358

SCHEMBL5637358

C=CCN(C)CCCCCCOc1ccc2c(c1)CCCN2C(=O)Nc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LSS P48449 12/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL5636791 0.99 TP53 (0.47) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL5637132 0.94 TP53 (0.49) TP53MAPTMEN1KMT2ALSS
SCHEMBL6406368 0.92 LSS (0.55) TP53MAPTMEN1KMT2ALSS
SCHEMBL6400410 0.92 LSS (0.55) MEN1KMT2ALSS
SCHEMBL6400446 0.92 MAPT (0.54) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL6400220 0.92 LSS (0.53) MEN1KMT2ALSS
SCHEMBL6400422 0.92 LSS (0.53) TP53MAPTMEN1KMT2ALSS
SCHEMBL6403675 0.91 FLT1 (0.48) TP53MAPTMEN1KMT2ALSS
SCHEMBL6400961 0.90 TP53 (0.48) TP53MAPTALDH1A1LSSLMNA
SCHEMBL5637880 0.88 LSS (0.46) TP53MAPTMEN1KMT2AKDM4E

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 TP53 488/4885MAPT 3562/4885MEN1 402/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 TP53 488/4885MAPT 3562/4885MEN1 402/4885

“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.