SCHEMBL14066640

SCHEMBL14066640

CCOC(=O)C(=CNc1ccc(C)c(Br)c1)C(=O)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.65
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPSR1 Q6W5P4 5/20 0.58
GAA P10253 2/20 0.55
MAPT P10636 6/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
RECQL P46063 1/20 0.52
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL10861648 0.90 DHODH (0.67) DHODHMEN1KMT2ANPSR1GAA
SCHEMBL15054367 0.88 DHODH (0.63) DHODHMEN1KMT2ANPSR1GAA
SCHEMBL18074186 0.87 NPC1 (0.50) DHODHMEN1KMT2ANPSR1GAA
SCHEMBL10861496 0.87 DHODH (0.70) DHODHMEN1KMT2ANPSR1GAA
SCHEMBL12786967 0.86 DHODH (0.48) DHODHMEN1KMT2ANPSR1GAA
SCHEMBL21050681 0.86 DHODH (0.62) DHODHMEN1KMT2ANPSR1GAA
SCHEMBL10861643 0.85 DHODH (0.60) DHODHMEN1KMT2ANPSR1GAA
SCHEMBL3944683 0.85 DHODH (0.60) DHODHMEN1KMT2ANPSR1GAA
SCHEMBL13930268 0.85 DHODH (0.63) DHODHMEN1KMT2ANPSR1GAA
SCHEMBL10861703 0.84 MEN1 (0.77) DHODHMEN1KMT2ANPSR1GAA

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
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed
US-20080234267-A1 Compounds and Methods of Treatment SMITHKLINE BEECHAM CORPORATION 2008-09-25 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-20080234267-A1 Compounds and Methods of Treatment RET, ABL1, PRKACA DHODH 1276/4885MEN1 275/4885KMT2A 308/4885

“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.