SCHEMBL2906872

SCHEMBL2906872

Cc1cccc(Nc2ccc3c(NS(=O)(=O)c4cc(F)cc(F)c4)cccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.45
SLC10A1 Q14973 1/20 0.45
SLC10A6 Q3KNW5 1/20 0.45
TNNI3K Q59H18 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
EGFR P00533 1/20 0.41
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
SLC40A1 Q9NP59 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
SLC2A1 P11166 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2904870 0.87 MEN1 (0.49) TNNI3KMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2904980 0.87 EGFR (0.44) TNNI3KMEN1KMT2AEGFRMAPT
SCHEMBL2910554 0.86 CLK1 (0.52) MEN1KMT2AMAPTABCG2SLC40A1
SCHEMBL2901922 0.85 MAPT (0.40) MEN1KMT2AMAPTABCG2SLC40A1
SCHEMBL2907742 0.82 RECQL (0.53) MEN1KMT2AMAPTSMN1; SMN2SLC40A1
SCHEMBL2905387 0.80 RECQL (0.39) MEN1KMT2AMAPTSLC40A1KDM4E
SCHEMBL2905319 0.77 LMNA (0.44) MEN1KMT2AEGFRMAPTSLC40A1
SCHEMBL2906708 0.77 IDO1 (0.42) KMT2AMAPTSMN1; SMN2ABCB1HTT
SCHEMBL2907020 0.76 SLC40A1 (0.49) MEN1KMT2AMAPTSLC40A1KDM4E
SCHEMBL2902345 0.76 EPHB4 (0.47) MEN1KMT2AMAPTSLC40A1HTT

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-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US claimed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP claimed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP claimed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO claimed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US claimed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US 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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 SLC10A2 831/4885SLC10A1 641/4885SLC10A6 2246/4885

“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.