SCHEMBL12985694

SCHEMBL12985694

CC(=O)OCc1cc(Br)cnc1N(C(C)=O)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 4/20 0.33
CA2 P00918 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7878035 0.83 CYP3A4 (0.35) CYP3A4ALDH1A1KDM4EHSD17B10HTT
SCHEMBL2067654 0.75 DGAT1 (0.37) CYP3A4
SCHEMBL4093785 0.75 CFD (0.39) CYP3A4ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22117014 0.74 TSHR (0.36) CYP3A4ALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL27658355 0.73 KMT2A (0.37) ALDH1A1HPGDHTTKMT2A
SCHEMBL21591695 0.73 MEN1 (0.37) CYP3A4MEN1KMT2A
SCHEMBL5734033 0.70 AGBL2 (0.37) CYP3A4ALDH1A1CA2KDM4EHSD17B10
SCHEMBL31691297 0.69 ALDH1A1 (0.35) CYP3A4ALDH1A1CA2
SCHEMBL2067833 0.69 NOTUM (0.37) CYP3A4ALDH1A1CA2KDM4EHSD17B10
SCHEMBL9013438 0.68 ALDH1A1 (0.37) CYP3A4ALDH1A1CA2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 CYP3A4 2231/4885ALDH1A1 2472/4885CA2 2093/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 CYP3A4 1999/4885ALDH1A1 2405/4885CA2 2221/4885

“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.