SCHEMBL3602396

SCHEMBL3602396

Cc1cc(NC(=O)C2c3cc(N(C)C)ccc3CCN2C(=O)C(C)(C)C)c(C)c(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.33
HDAC6 Q9UBN7 1/20 0.32
HTR2C P28335 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
XIAP P98170 4/20 0.31
GHSR Q92847 1/20 0.31
LMNA P02545 1/20 0.31

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
Hydrochloric Acid SCHEMBL3606880 0.99 F11 (0.33) F11HDAC6HTR2CMEN1KMT2A
SCHEMBL3608297 0.91 RIPK1 (0.32) F11
Hydrochloric Acid SCHEMBL3604099 0.91 F11 (0.31) F11
SCHEMBL3616206 0.87 XIAP (0.37) F11XIAP
SCHEMBL3604212 0.87 NR1H2 (0.34) F11HDAC6MEN1KMT2AXIAP
SCHEMBL3614831 0.87 RORC (0.31) F11HDAC6
Hydrochloric Acid SCHEMBL3612487 0.86 XIAP (0.37) F11XIAP
Hydrochloric Acid SCHEMBL3603755 0.86 NR1H2 (0.34) F11HDAC6MEN1KMT2AXIAP
Hydrochloric Acid SCHEMBL3608122 0.86 GHSR (0.32) F11HDAC6MEN1KMT2AXIAP
SCHEMBL3613299 0.86 RORC (0.33) F11XIAPGHSR

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 4 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 claimed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP claimed
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 F11 4805/4885HDAC6 15/4885HTR2C 4141/4885

“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.