SCHEMBL2684136

SCHEMBL2684136

COC(=O)Cc1ccsc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 3/20 0.39
GLA P06280 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90AB1 P08238 1/20 0.38
L3MBTL1 Q9Y468 3/20 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
SCHEMBL2684237 0.83 PKM (0.43) KMT2AMEN1CYP1A2ALDH1A1KDM4E
SCHEMBL14645538 0.81 KMT2A (0.46) KMT2AMEN1CYP1A2CYP4F2CYP4A11
SCHEMBL27275841 0.80 ALDH1A1 (0.43) KMT2AMEN1CYP1A2CYP4F2CYP4A11
SCHEMBL9430379 0.80 KMT2A (0.41) KMT2AMEN1CYP1A2CYP4F2CYP4A11
SCHEMBL28511312 0.79 SLC6A4 (0.41) KMT2AALDH1A1TP53NPC1RAB9A
SCHEMBL13225709 0.79 KMT2A (0.43) KMT2AMEN1CYP1A2CYP4F2CYP4A11
SCHEMBL10683372 0.77 KMT2A (0.46) KMT2AMEN1CYP1A2CYP4F2CYP4A11
SCHEMBL14645421 0.77 KMT2A (0.54) KMT2AMEN1CYP1A2CYP4F2CYP4A11
SCHEMBL2684375 0.77 SLC6A4 (0.44) KMT2AMEN1CYP1A2ALDH1A1KDM4E
SCHEMBL1124902 0.76 ALDH1A1 (0.39) KMT2AMEN1CYP1A2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359311-B2 Substituted aromatic oligomers NEUROSCIOS GMBH (AT) 2016-06-07 US disclosed
US-9359311-B2 Substituted aromatic oligomers NEUROSCIOS GMBH (AT) 2016-06-07 US disclosed
US-9359311-B2 Substituted aromatic oligomers NEUROSCIOS GMBH (AT) 2016-06-07 US disclosed
EP-2817304-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BioChromix NewCo AB (SE) 2014-12-31 EP disclosed
US-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB 2014-05-15 US disclosed
US-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB 2014-05-15 US disclosed
US-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB 2014-05-15 US disclosed
US-8404728-B2 Small-molecule botulinum toxin inhibitors MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-03-26 US disclosed
WO-2013036196-A1 NOVEL THIOPHENE COMPOUNDS AND METHOD FOR IN VIVO IMAGING BIOCHROMIX AB (SE) 2013-03-14 WO disclosed
WO-2013036196-A1 NOVEL THIOPHENE COMPOUNDS AND METHOD FOR IN VIVO IMAGING BIOCHROMIX AB (SE) 2013-03-14 WO disclosed
WO-2013009259-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB (SE) 2013-01-17 WO disclosed
WO-2013009259-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB (SE) 2013-01-17 WO disclosed
US-20120114696-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS US ARMY, SECRETARY OF THE ARMY 2012-05-10 US disclosed
US-7531655-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-7531655-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1556376-B1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-16 EP disclosed
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
CN-1022488-C Antimuscainic bronchodilators PFIZER (US) 1993-10-20 CN disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed
CN-1051041-A Antimuscainic bronchodilators PFIZER (US) 1991-05-01 CN 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 (2 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-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY PRNP, TBCA, HSPA5 KMT2A 4329/4885MEN1 2047/4885CYP1A2 3217/4885
US-20120114696-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS BTD, BCHE, ACHE KMT2A 1949/4885MEN1 2693/4885CYP1A2 4341/4885

“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.