SCHEMBL3609009

SCHEMBL3609009

Cc1cc(NS(C)(=O)=O)cc(C)c1NC(=O)C1c2ccccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.42
RORC P51449 1/20 0.39
F11 P03951 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.35
ACE P12821 1/20 0.35

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
SCHEMBL3612584 0.90 XIAP (0.42) XIAPRORCF11KMT2AMEN1
SCHEMBL3612848 0.87 XIAP (0.47) XIAPF11RAB9ANPC1KMT2A
SCHEMBL3598720 0.85 XIAP (0.45) XIAPF11KMT2AMEN1ACE
SCHEMBL3612495 0.85 XIAP (0.50) XIAPF11KMT2AMEN1ACE
SCHEMBL3598924 0.83 XIAP (0.40) XIAPF11RAB9ANPC1KMT2A
SCHEMBL3608334 0.83 XIAP (0.41) XIAPRORCF11KMT2AMEN1
SCHEMBL3617454 0.82 XIAP (0.43) XIAPF11RAB9ANPC1KMT2A
SCHEMBL3613913 0.81 KMT2A (0.42) XIAPNPC1KMT2AMEN1ALDH1A1
SCHEMBL3604404 0.81 XIAP (0.40) XIAPRORCF11ACE
SCHEMBL3608895 0.81 XIAP (0.40) XIAPRORCF11ACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT XIAP 934/4885RORC 488/4885F11 4805/4885

“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.