SCHEMBL5353595

SCHEMBL5353595

CC(C)Oc1ccc(N2C(=O)C(=O)c3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
CES1 P23141 5/20 0.61
ALDH1A1 P00352 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
BCHE P06276 2/20 0.61
CES2 O00748 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 4/20 0.50
AOC3 Q16853 2/20 0.50
AGTR1 P30556 2/20 0.44
TTR P02766 1/20 0.44
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H3 Q13133 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3047148 0.83 ALDH1A1 (0.67) KMT2ACES1ALDH1A1NPSR1BCHE
SCHEMBL4185333 0.79 ALDH1A1 (0.50) KMT2ACES1ALDH1A1NPSR1BCHE
SCHEMBL20721761 0.78 CES1 (0.73) KMT2ACES1ALDH1A1NPSR1BCHE
SCHEMBL29506688 0.78 CES1 (0.73) KMT2ACES1ALDH1A1NPSR1BCHE
SCHEMBL13985405 0.77 CES1 (0.58) KMT2ACES1ALDH1A1NPSR1BCHE
Phenyl Isatin SCHEMBL916808 0.77 CES1 (1.00) KMT2ACES1ALDH1A1NPSR1BCHE
SCHEMBL4185336 0.77 AOC3 (0.51) KMT2ACES1ALDH1A1NPSR1BCHE
SCHEMBL14830505 0.77 NPSR1 (0.61) KMT2ACES1ALDH1A1NPSR1BCHE
SCHEMBL25708340 0.75 CES1 (0.59) KMT2ACES1ALDH1A1NPSR1BCHE
SCHEMBL26133500 0.75 CES1 (0.69) KMT2ACES1ALDH1A1NPSR1BCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166635-B2 3-imino-2-indolones for the treatment of depression and/or anxiety H. LUNDBECK A/S (DK) 2007-01-23 US disclosed
US-20050148635-A1 3-imino-2-indolones for the treatment of depression and/or anxiety SYNAPTIC PHARMACEUTICAL CORPORATION 2005-07-07 US disclosed
US-20040082615-A1 3-Imino-2-indolones for the treatement of depression and/or anxiety H. LUNDBECK A/S (DK) 2004-04-29 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 (2 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-20050148635-A1 3-imino-2-indolones for the treatment of depression and/or anxiety GALR3, GALR2, GALR1 KMT2A 2891/4885CES1 3556/4885ALDH1A1 2085/4885
US-20040082615-A1 3-Imino-2-indolones for the treatement of depression and/or anxiety GALR3, GALR2, GALR1 KMT2A 3139/4885CES1 3382/4885ALDH1A1 1855/4885

“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.