SCHEMBL1615436

SCHEMBL1615436

O=S(=O)(Nc1cccc2nc(NC3COc4ccccc43)ccc12)c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.35
PKM P14618 1/20 0.35
SLC40A1 Q9NP59 1/20 0.34
IDO1 P14902 1/20 0.34
CLK1 P49759 1/20 0.34
AADAT Q8N5Z0 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 1/20 0.33
NOD2 Q9HC29 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HSPD1 P10809 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN5 P54829 1/20 0.32
HSPE1 P61604 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
SCHEMBL1615430 0.92 SLC40A1 (0.35) MAPTGAARECQLPKMSLC40A1
SCHEMBL1616156 0.92 MAPT (0.45) MAPTGAARECQLKMT2AMEN1
SCHEMBL1615372 0.91 PKM (0.39) MAPTGAARECQLPKMSLC40A1
SCHEMBL2926162 0.83 SCN1A (0.41) MAPTGAARECQLKMT2AMEN1
SCHEMBL1615546 0.83 SCN1A (0.41) MAPTGAARECQLKMT2AMEN1
SCHEMBL1616498 0.82 PFKFB3 (0.44) MAPTGAAHTTALDH1A1
SCHEMBL1616364 0.81 CCNE2 (0.39) PKMALDH1A1
SCHEMBL1615310 0.78 CYP3A4 (0.37) MAPTGAARECQLPKMSLC40A1
SCHEMBL1616561 0.78 CYP3A4 (0.37) MAPTGAARECQLPKMSLC40A1
SCHEMBL2906708 0.78 IDO1 (0.42) MAPTGAARECQLPKMIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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 (1 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C MAPT 866/4885GAA 483/4885RECQL 494/4885

“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.