SCHEMBL2803315

SCHEMBL2803315

CC(Cc1ccccc1)OC(=O)Nc1ncc2c(c1C#N)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 17/20 0.33
SLC6A3 Q01959 17/20 0.33
CYP2D6 P10635 7/20 0.32
CYP2C19 P33261 5/20 0.32
KCNH2 Q12809 5/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL2803267 0.93 SLC6A4 (0.33) SLC6A4MAPK1SLC6A2SLC6A3CYP2D6
SCHEMBL2805224 0.93 SLC6A4 (0.33) SLC6A4MAPK1MAPTHTTSLC6A2
SCHEMBL2802815 0.91 SLC6A2 (0.34) SLC6A4SLC6A2SLC6A3CYP2D6CYP2C19
SCHEMBL2805897 0.89 FFAR1 (0.34) SLC6A4SLC6A2SLC6A3CYP2D6CYP2C19
SCHEMBL16351170 0.88 MEN1 (0.37) SLC6A4MEN1MAPTHTTKMT2A
SCHEMBL17043983 0.85 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3CYP2D6CYP2C19
SCHEMBL2804693 0.85 ALDH1A1 (0.36) SLC6A4SLC6A2SLC6A3CYP2D6CYP2C19
SCHEMBL2808250 0.84 MEN1 (0.39) SLC6A4MEN1MAPTHTTKMT2A
SCHEMBL2803831 0.84 LMNA (0.33) SLC6A4MEN1MAPTHTTKMT2A
SCHEMBL2802828 0.84 ALDH1A1 (0.34) SLC6A4MEN1MAPTHTTKMT2A

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-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US 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-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SLC6A4 564/4885MAPK1 2878/4885MEN1 2137/4885

“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.