SCHEMBL3285149

SCHEMBL3285149

COC(=O)c1cn(C)c2c(CO)cccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.57
BRD4 O60885 2/20 0.56
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
S1PR1 P21453 1/20 0.44
PARP1 P09874 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL26581229 0.82 NR4A2 (0.60) NR4A2BRD4GAAKMT2AMEN1
SCHEMBL17113153 0.81 NR4A2 (0.59) NR4A2BRD4GAAKMT2AMEN1
SCHEMBL23809192 0.78 NR4A2 (0.56) NR4A2BRD4GAAKMT2AMEN1
SCHEMBL15730224 0.74 BRD4 (0.53) BRD4KMT2AS1PR1PARP1LMNA
SCHEMBL28769035 0.73 SLC22A6 (0.44) BRD4S1PR1LMNATSHRKDM4E
SCHEMBL1093038 0.73 NR4A2 (0.47) NR4A2BRD4GAAKMT2AMEN1
SCHEMBL1092934 0.73 NR4A2 (1.00) NR4A2BRD4GAAKMT2AMEN1
SCHEMBL31621504 0.73 NR4A2 (1.00) NR4A2BRD4GAAKMT2AMEN1
SCHEMBL7839162 0.72 NR4A2 (0.49) NR4A2BRD4KMT2AMEN1PARP1
SCHEMBL2093835 0.72 ALDH1A1 (0.64) GAAKMT2ALMNAL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700595-B2 such as 3-benzyl-4-phenyl-8-(trifluoromethyl)cinnoline; modulators of Liver X receptors (LXRs) WYETH LLC (US) 2010-04-20 US disclosed
EP-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 EP disclosed
US-20060252757-A1 Cinnoline compounds WYETH 2006-11-09 US disclosed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 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-20060252757-A1 Cinnoline compounds NR1H3, NR1H2, CNR1 NR4A2 274/4885BRD4 726/4885GAA 2674/4885

“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.