SCHEMBL2925960

SCHEMBL2925960

COc1ccc2nccc(-c3ccc(CCNC(=O)OC(C)(C)C)cc3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PTGER4 P35408 1/20 0.40
NAMPT P43490 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
POLB P06746 1/20 0.38
GRM2 Q14416 1/20 0.37
IGF1R P08069 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2925641 0.90 GRM2 (0.44) AKT1KDM4ETDP1NAMPTAAK1
SCHEMBL13175635 0.89 MTNR1A (0.40) MTNR1AMTNR1BKDM4ETDP1AAK1
SCHEMBL14498854 0.81 MAPK1 (0.39) MTNR1AMTNR1BKDM4ETDP1AAK1
SCHEMBL2925812 0.80 MTNR1A (0.54) AKT1MTNR1AMTNR1BKDM4EPTGER4
SCHEMBL591076 0.80 MTNR1A (0.47) MTNR1AMTNR1BKDM4ETDP1CA1
SCHEMBL16518844 0.78 MKNK1 (0.47) AKT1TDP1CA1CA2PTGER4
SCHEMBL2925165 0.76 MAOB (0.43)
SCHEMBL2925161 0.76 GRM2 (0.40) GRM2
Hydrochloric Acid SCHEMBL2926449 0.75 MAOB (0.44)
SCHEMBL2917178 0.75 MTNR1A (0.40) MTNR1AMTNR1BNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 EP disclosed
US-7618959-B2 Antibacterial agents SMITHKLINEBEECHAM CORP (US) 2009-11-17 US disclosed
US-7618959-B2 Antibacterial agents SMITHKLINEBEECHAM CORP (US) 2009-11-17 US disclosed
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 US disclosed
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 US disclosed
EP-1560488-A4 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORP (US) 2006-08-02 EP disclosed
EP-1560488-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP disclosed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 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-20070004710-A1 Antibacterial agents NQO2, NRDC, IFNG AKT1 3189/4885MTNR1A 1750/4885MTNR1B 1729/4885

“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.