SCHEMBL3597908

SCHEMBL3597908

Cc1cc(C)c(NC(=O)C2c3ccccc3CCN2S(C)(=O)=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.45
MMP1 P03956 4/20 0.44
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
MMP12 P39900 3/20 0.44
MMP14 P50281 3/20 0.44
MMP15 P51511 3/20 0.44
MMP16 P51512 3/20 0.44
MMP26 Q9NRE1 3/20 0.44
MMP7 P09237 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
EPHX2 P34913 2/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL3608697 0.83 MMP8 (0.46) TP53MAPTMMP1MMP2MMP9
SCHEMBL3603136 0.82 NR1I2 (0.43) TP53MAPTMMP1MMP2MMP9
SCHEMBL3612848 0.79 XIAP (0.47) TP53MAPTCYP3A4CYP2D6HTT
SCHEMBL4235842 0.77 ACE (0.51) MAPTMMP1MMP2MMP9MMP12
SCHEMBL3607627 0.75 ACE (0.47) TP53MAPTHTTLMNASMN1; SMN2
SCHEMBL3612560 0.75 MAPT (0.41) TP53MAPTHTTLMNASMN1; SMN2
SCHEMBL3607354 0.74 ACE (0.46) TP53MAPTHTTLMNASMN1; SMN2
SCHEMBL3609009 0.74 XIAP (0.42) MEN1KMT2AALDH1A1
SCHEMBL3609300 0.73 OPRD1 (0.55) HTTLMNASMN1; SMN2NPSR1
SCHEMBL3605762 0.73 XIAP (0.42) TP53MAPTHTTLMNASMN1; SMN2

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 TP53 1800/4885MAPT 260/4885MMP1 3356/4885

“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.