SCHEMBL3606227

SCHEMBL3606227

CC(=O)Oc1c(C)cc(NC(=O)C2c3ccccc3CCN2Cc2cccc([N+](=O)[O-])c2)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 4/20 0.36
PKM P14618 1/20 0.36
GHSR Q92847 1/20 0.36
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL3604887 0.88 PPARD (0.47) PPARDPPARGPPARAMAPK1ALDH1A1
SCHEMBL3609022 0.81 PPARD (0.43) PPARDPPARGPPARAGHSR
SCHEMBL3609202 0.79 PPARD (0.42) PPARDPPARGPPARA
SCHEMBL3608522 0.75 LMNA (0.38) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3612561 0.74 GHSR (0.44) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL3612271 0.74 KMT2A (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3617245 0.71 HTT (0.42) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL3604131 0.70 DRD2 (0.37) PPARDPPARGPPARALMNA
SCHEMBL3611181 0.67 PPARD (0.44) PPARDPPARGPPARAALDH1A1KMT2A
SCHEMBL3604720 0.67 MAPT (0.38) PPARDPPARAMAPK1ALDH1A1SMN1; 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 PPARD 805/4885PPARG 443/4885PPARA 542/4885

“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.