SCHEMBL1904650

SCHEMBL1904650

CCOC(=O)C(=CNc1cccc(-c2c(C)noc2C)c1)C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.66
BRD4 O60885 5/20 0.52
HDAC1 Q13547 1/20 0.52
BRD2 P25440 3/20 0.51
CREBBP Q92793 3/20 0.51
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FTO Q9C0B1 1/20 0.46
RECQL P46063 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 2/20 0.45

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
SCHEMBL12095439 0.85 BRD4 (0.55) DHODHBRD4HDAC1BRD2CREBBP
SCHEMBL18249983 0.82 DHODH (0.51) DHODHBRD4BRD2CREBBPMAPT
SCHEMBL18249937 0.81 NPSR1 (0.54) DHODHMAPTKDM4ENPSR1TDP1
SCHEMBL1905062 0.80 DHODH (0.49) DHODHBRD4BRD2MAPTKDM4E
SCHEMBL10732810 0.78 DHODH (0.77) DHODHMAPTKDM4ENPSR1TDP1
SCHEMBL10988529 0.76 DHODH (0.70) DHODHMAPTKDM4ENPSR1TDP1
SCHEMBL11655630 0.76 DHODH (0.63) DHODHMAPTKDM4ENPSR1TDP1
SCHEMBL11655634 0.76 DHODH (0.63) DHODHMAPTKDM4ENPSR1TDP1
SCHEMBL1904632 0.76 DHODH (0.73) DHODHMAPTKDM4ENPSR1TDP1
SCHEMBL12677343 0.76 DHODH (0.44) DHODHBRD4HDAC1BRD2CREBBP

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-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 US disclosed
US-8557984-B2 Imidazo [4, 5-C] quinoline derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-10-15 US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 US disclosed
US-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-09-13 US disclosed
WO-2011054846-A1 IMIDAZO [4, 5-C] QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054846-A1 IMIDAZO [4, 5-C] QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO 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-20120232074-A1 Imidazo [4, 5-C] Quinoline Derivatives As Bromodomain Inhibitors BRD4, BRD3, BRPF3 DHODH 3150/4885BRD4 1/4885HDAC1 16/4885

“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.