SCHEMBL1454746

SCHEMBL1454746

C[CH]C(CCCC)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ CTSK P43235 11/20 0.39
▸ CTSL P07711 4/20 0.39
▸ CTSB P07858 4/20 0.39
▸ CTSH P09668 2/20 0.39
▸ HDAC3 O15379 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38

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
SCHEMBL1453687 0.95 TDP1 (0.39) TDP1MEN1ALDH1A1MAPTMAPK1
SCHEMBL1454745 0.89 TDP1 (0.43) TDP1MEN1ALDH1A1MAPTMAPK1
SCHEMBL1453462 0.81 TDP1 (0.46) TDP1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL17186180 0.80 CSNK1E (0.40) TDP1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL17186181 0.80 CSNK1E (0.40) TDP1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL29067608 0.78 KCNH3 (0.39) TDP1MEN1ALDH1A1MAPTMAPK1
SCHEMBL5430418 0.76 TDP1 (0.42) TDP1MEN1ALDH1A1MAPTMAPK1
SCHEMBL1453954 0.76 ENPP2 (0.40) TDP1MEN1ALDH1A1MAPTMAPK1
SCHEMBL1453959 0.76 ALDH1A1 (0.50) TDP1MEN1ALDH1A1MAPTMAPK1
SCHEMBL25124425 0.74 ENPP2 (0.43) TDP1MEN1ALDH1A1MAPTMAPK1

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-7910617-B2 Method for suppressing the number of peripheral blood lymphocytes using an amino alcohol compound SANKYO COMPANY, LIMITED (JP) 2011-03-22 — — US disclosed
CN-1921847-B Amino alcohol compound SANKYO CO 2010-06-16 — — CN disclosed
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 — — US disclosed
CN-1921847-A Amino alcohol compound SANKYO CO (JP) 2007-02-28 — — CN disclosed
EP-1733724-A1 AMINO ALCOHOL COMPOUND Sankyo Company, Limited (JP) 2006-12-20 — — EP 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 (1 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-20070191468-A1 Amino alcohol compound ADH1A, ADH1C, BCAT1 TDP1 1914/4885MEN1 3109/4885ALDH1A1 62/4885

“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.

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