SCHEMBL4448883

SCHEMBL4448883

[S]C1=CCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
MAOA P21397 3/20 0.36
CES1 P23141 2/20 0.36
MAOB P27338 2/20 0.33
BCHE P06276 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4448887 0.72 HTR6 (0.41) HTR6MAOACES1MAOBBCHE
SCHEMBL7960264 0.72 HTR6 (0.41) HTR6MAOACES1MAOBBCHE
SCHEMBL17073935 0.70 HTR6 (0.40) HTR6MAOACES1MAOBBCHE
SCHEMBL21694409 0.70 HTR6 (0.40) HTR6MAOACES1MAOBBCHE
SCHEMBL30057710 0.70 HTR6 (0.40) HTR6MAOACES1MAOBBCHE
SCHEMBL12743937 0.70 HTR6 (0.44) HTR6MAOACES1MAOBBCHE
SCHEMBL308272 0.70 HTR6 (0.40) HTR6MAOACES1MAOBBCHE
SCHEMBL30041622 0.70 HTR6 (0.48) HTR6MAOACES1MAOBLMNA
SCHEMBL6925588 0.70 HTR6 (0.48) HTR6MAOACES1MAOBLMNA
SCHEMBL308273 0.70 HTR6 (0.40) HTR6MAOACES1MAOBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-18 US disclosed
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-8263631-B2 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-09-11 US disclosed
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-01-29 US disclosed
EP-1982718-A1 ANTI-CANCER PHARMACEUTICAL COMPOSITION Daiichi Sankyo Company, Limited (JP) 2008-10-22 EP disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP 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 (5 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 HTR6 1464/4885MAOA 4747/4885CES1 2980/4885
US-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG RNASE1, MCL1, EWSR1 HTR6 3249/4885MAOA 4147/4885CES1 1811/4885
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 HTR6 2952/4885MAOA 1996/4885CES1 1091/4885
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer EGFR, ERBB2, KDR HTR6 1193/4885MAOA 4436/4885CES1 2463/4885
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 HTR6 2952/4885MAOA 1996/4885CES1 1091/4885

“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.