SCHEMBL3590577

SCHEMBL3590577

Cn1c2ccccc2n2cc(C=O)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBD2 Q9UBB5 1/20 0.47
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ADORA1 P30542 2/20 0.39
GABRA5 P31644 1/20 0.39
IMPDH2 P12268 1/20 0.39
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.36
EGFR P00533 1/20 0.36
ADORA2B P29275 1/20 0.36
P2RX7 Q99572 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CA12 O43570 1/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34

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
SCHEMBL9044264 0.81 GABRA5 (0.45) MBD2ALDH1A1KDM4EL3MBTL1ADORA1
SCHEMBL8878415 0.74 MBD2 (0.48) MBD2ALDH1A1KDM4EL3MBTL1ADORA1
SCHEMBL2929504 0.69 MAP3K5 (0.42) ALDH1A1KDM4EL3MBTL1IMPDH2MAPT
SCHEMBL10728827 0.68 GABRA5 (0.49) ALDH1A1KDM4EL3MBTL1ADORA1GABRA5
SCHEMBL2928228 0.67 TNKS2 (0.46) ALDH1A1KDM4EL3MBTL1HPGDPOLB
SCHEMBL9268169 0.67 MBD2 (0.66) MBD2ALDH1A1KDM4EL3MBTL1ADORA1
SCHEMBL13394327 0.66 MBD2 (0.64) MBD2ALDH1A1KDM4EL3MBTL1ADORA1
SCHEMBL4791437 0.66 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL2929568 0.66 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL25857423 0.65 TOP2A (0.51) ALDH1A1KDM4EL3MBTL1ADORA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
US-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
EP-1885358-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D ß-LACTAMASES INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-02-13 EP disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 WO disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 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 (5 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 MBD2 4621/4885ALDH1A1 998/4885KDM4E 1977/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MBD2 4707/4885ALDH1A1 765/4885KDM4E 1243/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP MBD2 4707/4885ALDH1A1 765/4885KDM4E 1243/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM MBD2 3253/4885ALDH1A1 920/4885KDM4E 651/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MBD2 4721/4885ALDH1A1 646/4885KDM4E 1360/4885

“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.