SCHEMBL2929441

SCHEMBL2929441

N=C1CN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.42
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
MEN1 O00255 1/20 0.41
IDO1 P14902 1/20 0.40
AKR1C3 P42330 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2926092 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL3039451 0.84 KCNJ1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL5724126 0.83 KCNJ1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9661798 0.80 KCNJ1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9519331 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL8587397 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL3555094 0.78 TDP1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL4470296 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL27949581 0.77 LMNA (0.53) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL3039444 0.76 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A

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 16 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
EP-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 EP 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
EP-1885357-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS Wyeth (US) 2008-02-13 EP disclosed
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
WO-2006130588-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS WYETH (US) 2006-12-07 WO 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-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 EP 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
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 US disclosed
WO-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH (US) 2003-11-13 WO 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 (6 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 ALDH1A1 998/4885SMN1; SMN2 1450/4885LMNA 769/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS ALDH1A1 1005/4885SMN1; SMN2 3690/4885LMNA 288/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M ALDH1A1 652/4885SMN1; SMN2 2073/4885LMNA 280/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 ALDH1A1 998/4885SMN1; SMN2 1450/4885LMNA 769/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M ALDH1A1 426/4885SMN1; SMN2 2073/4885LMNA 296/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M ALDH1A1 1105/4885SMN1; SMN2 3122/4885LMNA 205/4885

“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.