SCHEMBL1615481

SCHEMBL1615481

O=S(=O)(Nc1cccc2nc(NC3CC4CCC3C4)ccc12)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GLO1 Q04760 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 1/20 0.40
HSP90AA1 P07900 2/20 0.39
METAP2 P50579 1/20 0.39
BRS3 P32247 2/20 0.38
GBA1 P04062 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL1616671 0.82 MEN1 (0.49) MAPTGAAKEAP1NFE2L2GLO1
SCHEMBL1616101 0.81 KMT2A (0.48) MAPTGAAKEAP1NFE2L2GLO1
SCHEMBL1616135 0.81 KMT2A (0.48) MAPTGAAKEAP1NFE2L2GLO1
SCHEMBL1616346 0.78 MEN1 (0.46) MAPTGAAKEAP1NFE2L2GLO1
SCHEMBL1616695 0.75 ALDH1A1 (0.42) MAPTGAAKEAP1NFE2L2GLO1
SCHEMBL1616156 0.74 MAPT (0.45) MAPTGAAKEAP1NFE2L2GLO1
SCHEMBL2906908 0.73 NPC1 (0.48) MAPTGAAKEAP1NFE2L2GLO1
SCHEMBL1616505 0.73 PDE4A (0.44) MAPTGAAKEAP1NFE2L2GLO1
SCHEMBL1615356 0.72 MEN1 (0.56) MAPTGAAKEAP1NFE2L2GLO1
SCHEMBL1615706 0.71 METAP2 (0.38) MAPTGAAMEN1KMT2AALDH1A1

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 GABBR2 307/4885GABBR1 211/4885MAPT 866/4885

“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.