SCHEMBL3128189

SCHEMBL3128189

Nc1ccsc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
ALOX15 P16050 1/20 0.39
LTA4H P09960 1/20 0.37
CYP2A6 P11509 2/20 0.35
DGAT1 O75907 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IDO1 P14902 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
USP2 O75604 1/20 0.33
PRKCZ Q05513 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL4952546 0.80 CYP3A4 (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4197618 0.78 MAPK14 (0.50) RAB9AALDH1A1USP2IKBKBCHUK
SCHEMBL8289756 0.78 PTGS1 (0.31)
SCHEMBL7457943 0.78 CASP3 (0.41) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL544880 0.77 TDO2 (0.42) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3715393 0.75 CES1 (0.39) MAPTSMN1; SMN2ALDH1A1MAPK1ALOX15
SCHEMBL2122531 0.74 CYP2A6 (0.58) ALDH1A1MAPK1CYP2A6MEN1KMT2A
SCHEMBL3127775 0.74 PGR (0.44) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7462614 0.74 PTGS2 (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7460889 0.74 KIF11 (0.50) LTA4HFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101189221-B Ampa receptor potentiators LILLY CO ELI 2011-06-01 CN disclosed
US-7652064-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2010-01-26 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 WO disclosed
US-20060276532-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY 2006-12-07 US disclosed
EP-1706395-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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 (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-20060276532-A1 AMPA RECEPTOR POTENTIATORS GABRE, GRIN1, GRIK2 MAPT 3521/4885SMN1; SMN2 2557/4885NPC1 1985/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 MAPT 558/4885SMN1; SMN2 4724/4885NPC1 3873/4885

“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.