SCHEMBL3605488

SCHEMBL3605488

COc1cccc(C)c1NC(=O)C1c2ccccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
XIAP P98170 11/20 0.45
LMNA P02545 1/20 0.40
DRD4 P21917 2/20 0.40
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
F11 P03951 1/20 0.37
GAA P10253 1/20 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
SCHEMBL3612495 0.91 XIAP (0.50) MEN1KMT2AXIAPF11
SCHEMBL3612848 0.83 XIAP (0.47) MEN1KMT2AXIAPLMNANPC1
SCHEMBL3609162 0.82 KMT2A (0.47) MEN1KMT2AXIAPLMNANPC1
SCHEMBL3598720 0.81 XIAP (0.45) MEN1KMT2AXIAPF11
SCHEMBL3607633 0.81 XIAP (0.53) MEN1KMT2AXIAPF11
SCHEMBL3606637 0.80 MEN1 (0.50) MEN1KMT2ALMNA
SCHEMBL3613913 0.79 KMT2A (0.42) MEN1KMT2AXIAPLMNANPC1
SCHEMBL3613507 0.78 XIAP (0.43) MEN1KMT2AXIAPF11
SCHEMBL3617454 0.78 XIAP (0.43) MEN1KMT2AXIAPNPC1F11
SCHEMBL3609009 0.77 XIAP (0.42) MEN1KMT2AXIAPNPC1F11

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 MEN1 4401/4885KMT2A 343/4885XIAP 934/4885

“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.