SCHEMBL3547873

SCHEMBL3547873

O=Cc1cc2n(n1)CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37

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
SCHEMBL3548936 0.84 MAPT (0.42) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL3554448 0.81 MAPT (0.49) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL2928341 0.78 ALDH1A1 (0.42) SMN1; SMN2RECQLALDH1A1LMNAMAPT
SCHEMBL20400267 0.77 MEN1 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1RAB9A
SCHEMBL30079992 0.75 GRM5 (0.38) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4470296 0.74 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL23199264 0.74 SMN1; SMN2 (0.51) SMN1; SMN2RECQLALDH1A1LMNAMAPT
SCHEMBL8587397 0.73 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL9519331 0.73 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL2927196 0.73 SMN1; SMN2 (0.42) SMN1; SMN2RECQLALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812014-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-10-12 — — US disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 — — US disclosed
EP-1988093-A1 Bicyclic 6-alkylidene-penems as beta-lactamases inhibitors Wyeth a Corporation of the State of Delaware (US) 2008-11-05 — — EP disclosed
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 — — US disclosed
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-09-28 — — US disclosed
US-7112582-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-09-26 — — US disclosed
EP-1499621-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASES 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-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 — — US disclosed
WO-2003093279-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS ß-LACTAMASES 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 SMN1; SMN2 1450/4885RECQL 1291/4885ALDH1A1 998/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS SMN1; SMN2 3690/4885RECQL 882/4885ALDH1A1 1005/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M SMN1; SMN2 2073/4885RECQL 1332/4885ALDH1A1 652/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M SMN1; SMN2 2073/4885RECQL 1935/4885ALDH1A1 426/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M SMN1; SMN2 3122/4885RECQL 817/4885ALDH1A1 1105/4885

“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.

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