SCHEMBL1615372

SCHEMBL1615372

O=S(=O)(Nc1cccc2nc(NC3CCOc4ccccc43)ccc12)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
IDO1 P14902 1/20 0.37
TRPV1 Q8NER1 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
ACLY P53396 1/20 0.35
SCN9A Q15858 1/20 0.34
PIK3CG P48736 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
CCR6 P51684 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1615436 0.91 MAPT (0.36) PKMIDO1GAAMAPTKMT2A
SCHEMBL2926162 0.85 SCN1A (0.41) GAAMAPTKMT2ARECQLALDH1A1
SCHEMBL1615546 0.85 SCN1A (0.41) GAAMAPTKMT2ARECQLALDH1A1
SCHEMBL1616498 0.84 PFKFB3 (0.44) GAAMAPTALDH1A1KDM4E
SCHEMBL1615430 0.83 SLC40A1 (0.35) PKMIDO1GAAMAPTKMT2A
SCHEMBL1616156 0.83 MAPT (0.45) GAAMAPTKMT2APIK3CGRECQL
SCHEMBL2904674 0.81 PKM (0.39) PKMGAAMAPTKMT2APIK3CG
SCHEMBL2906708 0.81 IDO1 (0.42) PKMIDO1GAAMAPTKMT2A
SCHEMBL1615576 0.79 CA1 (0.38) GAAMAPTKMT2ASCN9AALDH1A1
SCHEMBL1616265 0.78 SCN1A (0.41) GAAMAPTRECQLKDM4ESLC40A1

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 7 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
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US 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 PKM 1853/4885IDO1 1009/4885TRPV1 484/4885

“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.