SCHEMBL1616346

SCHEMBL1616346

O=S(=O)(Nc1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
GAA P10253 2/20 0.43
SCN1A P35498 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN8A Q9UQD0 2/20 0.41
GLO1 Q04760 1/20 0.40
PFKFB3 Q16875 1/20 0.39
GBA1 P04062 1/20 0.39
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 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
SCHEMBL2926162 0.92 SCN1A (0.41) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL1615546 0.92 SCN1A (0.41) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL2919481 0.90 SCN1A (0.41) MAPTGAASCN1ASCN5ASCN8A
SCHEMBL1616265 0.90 SCN1A (0.41) MAPTGAASCN1ASCN5ASCN8A
SCHEMBL1616691 0.88 PFKFB3 (0.39) SCN1ASCN5ASCN8APFKFB3GBA1
SCHEMBL1616498 0.86 PFKFB3 (0.44) ALDH1A1MAPTGAASCN1ASCN5A
SCHEMBL1616505 0.86 PDE4A (0.44) MEN1KMT2AALDH1A1MAPTKEAP1
SCHEMBL1616159 0.86 PRKCQ (0.39) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL1616695 0.85 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTKEAP1
SCHEMBL2242607 0.83 GBA1 (0.40) MAPTGAASCN1ASCN5ASCN8A

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 MEN1 3139/4885KMT2A 1379/4885ALDH1A1 1619/4885

“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.