Sugi Predict

Sugi Predict / Compounds / SCHEMBL6799646

SCHEMBL6799646

SCHEMBL6799646

CSc1sc(Br)c2c1C(=O)CCC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LRRK2 Q5S007 2/20 0.50
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GABRG2 P18507 4/20 0.34
▸ GABRB3 P28472 4/20 0.34
▸ GABRA5 P31644 4/20 0.34
▸ GABRA1 P14867 3/20 0.34
▸ GABRA3 P34903 3/20 0.34
▸ GABRA2 P47869 3/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL8279348 0.76 KDM4E (0.78) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL2434846 0.76 ALDH1A1 (0.56) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL1060812 0.76 KDM4E (1.00) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL7444904 0.73 GABRG2 (0.56) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL7397395 0.72 ALDH1A1 (0.52) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL23111604 0.72 LRRK2 (0.60) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL23111587 0.71 ALDH1A1 (0.35) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL7458508 0.70 GABRG2 (0.67) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL6800532 0.70 GABRG2 (0.65) KDM4EALDH1A1POLBRXFP1NPSR1
SCHEMBL6992555 0.70 KDM4E (0.60) KDM4EALDH1A1POLBRXFP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11613526-B2 Thiophene derivatives MERCK PATENT GMBH (DE) 2023-03-28 — — US disclosed
US-20210198233-A1 Thiophene derivatives MERCK PATENT GMBH (DE) 2021-07-01 — — US disclosed
US-20210198233-A1 Thiophene derivatives MERCK PATENT GMBH (DE) 2021-07-01 — — US disclosed
EP-3793989-A1 THIOPHENE DERIVATIVES Merck Patent GmbH (DE) 2021-03-24 — — EP disclosed
CN-112313211-A Thiophene derivatives 默克专利股份公司 2021-02-02 — — CN disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 — — US disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 — — US disclosed
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 — — US disclosed
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO INC. (CA) 2014-08-21 — — US disclosed
US-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2011-10-13 — — US disclosed
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 — — US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 — — US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 — — US disclosed
EP-0937072-B1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A alpha5 RECEPTOR SUBTYPE MERCK SHARP & DOHME (GB) 2002-01-09 — — EP disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 — — EP disclosed
US-6262103-B1 ALZHEIMER'S DISEASE. MERCK SHARP & DOHME LIMITED (GB) 2001-07-17 — — US disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 — — US disclosed
EP-0937072-A1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A? $g(a)5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LTD. (GB) 1999-08-25 — — EP disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 — — EP disclosed
WO-1998018792-A1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABAA α5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 1998-05-07 — — 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-20110251182-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 KDM4E 4553/4885ALDH1A1 1703/4885POLB 3457/4885
US-20140235619-A1 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES TRPM7, TRPM8, TRPM6 KDM4E 4553/4885ALDH1A1 1703/4885POLB 3457/4885
US-20210198233-A1 Thiophene derivatives HIF1A, HIF1AN, NCOA1 KDM4E 2461/4885ALDH1A1 240/4885POLB 1800/4885
US-11613526-B2 Thiophene derivatives HIF1A, HIF1AN, NCOA1 KDM4E 2461/4885ALDH1A1 240/4885POLB 1800/4885
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR KDM4E 4616/4885ALDH1A1 789/4885POLB 4486/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 KDM4E 4610/4885ALDH1A1 729/4885POLB 4348/4885

“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.