SCHEMBL21500699

SCHEMBL21500699

C=C1CC2(OC1=O)C(=O)N(CCCCCCCCCCN1C(=O)C3(CC(=C)C(=O)O3)c3ccccc31)c1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SCN9A Q15858 10/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL21500726 1.00 LMNA (0.49) LMNASMN1; SMN2SCN9AALDH1A1KDM4E
SCHEMBL21500729 1.00 LMNA (0.49) LMNASMN1; SMN2SCN9AALDH1A1KDM4E
SCHEMBL20322988 1.00 LMNA (0.49) LMNASMN1; SMN2SCN9AALDH1A1KDM4E
SCHEMBL20323006 1.00 LMNA (0.49) LMNASMN1; SMN2SCN9AALDH1A1KDM4E
SCHEMBL20322996 1.00 LMNA (0.49) LMNASMN1; SMN2SCN9AALDH1A1KDM4E
SCHEMBL21500741 1.00 LMNA (0.49) LMNASMN1; SMN2SCN9AALDH1A1KDM4E
SCHEMBL21500694 1.00 LMNA (0.49) LMNASMN1; SMN2SCN9AALDH1A1KDM4E
SCHEMBL21500696 0.99 LMNA (0.50) LMNASMN1; SMN2SCN9AALDH1A1KDM4E
SCHEMBL20323008 0.96 LMNA (0.53) LMNASMN1; SMN2SCN9AALDH1A1KDM4E
SCHEMBL26930199 0.94 SCN9A (0.52) LMNASMN1; SMN2SCN9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840540-B2 Dimers of covalent NFKB inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2023-12-12 US disclosed
US-11840540-B2 Dimers of covalent NFKB inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2023-12-12 US disclosed
US-20220009941-A1 Dimers of Covalent NFKB Inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2022-01-13 US disclosed
US-20190322680-A1 Dimers of Covalent NFKB Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-24 US 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 (3 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-20220009941-A1 Dimers of Covalent NFKB Inhibitors NFKBIA, IKBKB, NFKB2 LMNA 2394/4885SMN1; SMN2 2959/4885SCN9A 1847/4885
US-11840540-B2 Dimers of covalent NFKB inhibitors NFKBIA, IKBKB, NFKB2 LMNA 2394/4885SMN1; SMN2 2959/4885SCN9A 1847/4885
US-20190322680-A1 Dimers of Covalent NFKB Inhibitors NFKBIA, IKBKB, NFKB2 LMNA 1941/4885SMN1; SMN2 2792/4885SCN9A 1621/4885

“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.