SCHEMBL4587494

SCHEMBL4587494

CCOC(=O)c1cnc2ccc(Br)cc2c1N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.66
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MAPK10 P53779 1/20 0.61
MAPT P10636 9/20 0.61
GAA P10253 6/20 0.61
NPSR1 Q6W5P4 3/20 0.61
ALDH1A1 P00352 3/20 0.60
PKM P14618 1/20 0.59
MAPK1 P28482 3/20 0.58
TP53 P04637 2/20 0.58
USP2 O75604 1/20 0.58
RECQL P46063 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
MC4R P32245 2/20 0.57
HTT P42858 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57

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
SCHEMBL4587457 0.86 MEN1 (0.59) RXFP1MEN1KMT2AMAPK10MAPT
SCHEMBL529309 0.86 MEN1 (0.59) RXFP1MEN1KMT2AMAPK10MAPT
SCHEMBL4586201 0.85 MEN1 (0.61) MEN1KMT2AMAPK10MAPTGAA
SCHEMBL15190695 0.84 MEN1 (0.57) RXFP1MEN1KMT2AMAPK10MAPT
SCHEMBL15191414 0.84 TP53 (0.59) RXFP1MEN1KMT2AMAPK10MAPT
SCHEMBL23634687 0.83 RXFP1 (0.74) RXFP1MEN1KMT2AMAPTGAA
SCHEMBL530165 0.82 MELK (0.57) MEN1KMT2AMAPK10MAPTGAA
SCHEMBL15191218 0.82 MEN1 (0.55) RXFP1MEN1KMT2AMAPK10MAPT
SCHEMBL529323 0.81 MEN1 (0.54) RXFP1MEN1KMT2AMAPK10MAPT
SCHEMBL23234985 0.80 RXFP1 (1.00) RXFP1MEN1KMT2AGAANPSR1

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 RXFP1 4108/4885MEN1 3889/4885KMT2A 3294/4885

“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.