SCHEMBL3548936

SCHEMBL3548936

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCn2nc(CO)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ GRM5 P41594 8/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL3547873 0.84 SMN1; SMN2 (0.42) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3554448 0.82 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL30079992 0.81 GRM5 (0.38) MAPTSMN1; SMN2ALDH1A1LMNAGRM5
SCHEMBL20400267 0.78 MEN1 (0.45) SMN1; SMN2ALDH1A1KMT2AGRM5MEN1
SCHEMBL31173492 0.74 GRM5 (0.47) SMN1; SMN2KMT2AGRM5MEN1
SCHEMBL9519331 0.74 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL8587397 0.74 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL9363980 0.74 SMN1; SMN2 (0.52) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL30080017 0.73 GRM5 (0.42) GRM5
SCHEMBL6397323 0.73 KCNJ1 (0.54) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A

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
CN-112204036-B Macrocyclic fused pyrazoles as MCL-1 inhibitors 苏州亚盛药业有限公司 2022-12-27 — — CN disclosed
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-15 — — US disclosed
CN-112204036-A Macrocyclic fused pyrazoles as MCL-1 inhibitors 苏州亚盛药业有限公司 2021-01-08 — — CN disclosed
WO-2020151738-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-30 — — WO disclosed
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
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-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 (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 MAPT 3052/4885SMN1; SMN2 1450/4885ALDH1A1 998/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS MAPT 4245/4885SMN1; SMN2 3690/4885ALDH1A1 1005/4885
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 MAPT 2644/4885SMN1; SMN2 1208/4885ALDH1A1 369/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M MAPT 2460/4885SMN1; SMN2 2073/4885ALDH1A1 652/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M MAPT 2866/4885SMN1; SMN2 2073/4885ALDH1A1 426/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M MAPT 3462/4885SMN1; SMN2 3122/4885ALDH1A1 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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