Sugi Predict

Sugi Predict / Compounds / SCHEMBL454086

SCHEMBL454086

SCHEMBL454086

COC(=O)c1cc(O)c(N)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.58
▸ GAA P10253 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ XDH P47989 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ FUT7 Q11130 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ TPMT P51580 1/20 0.49
▸ CNR2 P34972 2/20 0.47

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
SCHEMBL29658063 1.00 KDM4E (0.58) KDM4EGAALMNAXDHPOLB
SCHEMBL11425376 0.89 CA12 (0.52) KDM4EGAALMNAXDHPOLB
SCHEMBL12825049 0.87 KDM4E (0.69) KDM4EGAALMNAXDHPOLB
SCHEMBL1758897 0.84 KDM4E (0.51) KDM4EGAALMNAXDHPOLB
SCHEMBL30073372 0.84 KDM4E (0.51) KDM4EGAALMNAXDHPOLB
SCHEMBL30254612 0.82 CA12 (0.46) KDM4EGAALMNAXDHPOLB
SCHEMBL15681644 0.82 CA12 (0.46) KDM4EGAALMNAXDHPOLB
SCHEMBL8539124 0.81 XDH (0.74) KDM4EGAALMNAXDHPOLB
SCHEMBL3709901 0.81 CA1 (0.44) KDM4EGAALMNAXDHPOLB
SCHEMBL2911409 0.81 TSHR (0.50) KDM4EGAALMNAXDHPOLB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731207-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS Merck Sharp & Dohme LLC (US) 2026-04-29 — — EP disclosed
WO-2025006293-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2025-01-02 — — WO disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
US-20240158390-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLMITED COMPANY (IE) 2024-05-16 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
CN-115884970-A Aryl formamide compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-03-31 — — CN disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 — — US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 — — EP disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 — — WO disclosed
WO-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 — — WO disclosed
WO-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 — — WO disclosed
EP-3423435-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2019-01-09 — — EP disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 — — US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 — — EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 — — US disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 — — EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 — — 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 KDM4E 4010/4885GAA 4548/4885LMNA 4068/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885GAA 3420/4885LMNA 3021/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG KDM4E 2009/4885GAA 1492/4885LMNA 1960/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885GAA 3420/4885LMNA 3021/4885
US-20240158390-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV MAVS, ZC3HAV1, RNASEH1 KDM4E 3412/4885GAA 499/4885LMNA 1839/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885GAA 3420/4885LMNA 3021/4885

“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.