SCHEMBL1616338

SCHEMBL1616338

O=S(=O)(Nc1cccc2nc(Cl)ccc12)c1cc(F)c(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.48
RECQL P46063 1/20 0.43
EIF2AK3 Q9NZJ5 1/20 0.42
CLK1 P49759 1/20 0.42
GLO1 Q04760 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
P2RX7 Q99572 2/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 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
SCHEMBL2907020 0.89 SLC40A1 (0.49) SLC40A1RECQLCLK1GLO1KMT2A
SCHEMBL1615356 0.85 MEN1 (0.56) SLC40A1RECQLGLO1KMT2AMEN1
SCHEMBL1616371 0.76 SLC40A1 (0.38) SLC40A1RECQLEIF2AK3CLK1GLO1
SCHEMBL13040587 0.76 KEAP1 (0.54) SLC40A1GLO1P2RX7KDM4E
SCHEMBL2923873 0.74 RXFP1 (0.47) SLC40A1EIF2AK3GLO1KMT2AMEN1
SCHEMBL1616265 0.73 SCN1A (0.41) SLC40A1RECQLMAPTTSHRKDM4E
SCHEMBL2919481 0.73 SCN1A (0.41) SLC40A1RECQLMAPTTSHRKDM4E
SCHEMBL2909092 0.72 MAP2K4 (0.42) SLC40A1KMT2AMEN1MAPTALDH1A1
SCHEMBL1615430 0.72 SLC40A1 (0.35) SLC40A1RECQLEIF2AK3CLK1GLO1
SCHEMBL5291639 0.72 MEN1 (0.69) GLO1KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC40A1 2283/4885RECQL 494/4885EIF2AK3 1721/4885

“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.