SCHEMBL3603781

SCHEMBL3603781

CC(=O)Oc1c(C)cc(NC(=O)C2NCCc3ccc(CNC(=O)OCc4ccccc4)cc32)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLAU P00749 1/20 0.34
FLT1 P17948 3/20 0.34
KDR P35968 3/20 0.34
FLT3 P36888 3/20 0.34
TBXA2R P21731 1/20 0.34
ROCK2 O75116 1/20 0.34
AURKA O14965 2/20 0.33
KCNA5 P22460 1/20 0.33
PKM P14618 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL3603957 0.82 GHSR (0.35) TBXA2RKCNA5
SCHEMBL3609159 0.81 GHSR (0.44) NPSR1
SCHEMBL3600884 0.80 ROCK2 (0.35) TBXA2RROCK2
SCHEMBL3614238 0.77 ROCK2 (0.37) NPSR1ROCK2
SCHEMBL3617245 0.75 HTT (0.42) NPC1RAB9ANPSR1L3MBTL1TBXA2R
SCHEMBL3610576 0.69 GHSR (0.40) NPSR1
SCHEMBL16927184 0.65 TSHR (0.46) NPSR1ROCK2
SCHEMBL11062314 0.64 ADRB2 (0.47) PKM
SCHEMBL14863954 0.64 TSHR (0.52) NPSR1
SCHEMBL3598805 0.64 HDAC8 (0.42) ROCK2

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 HDAC1 55/4885HDAC2 147/4885HDAC3 135/4885

“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.