SCHEMBL2904834

SCHEMBL2904834

CSc1ccccc1CNc1ccc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
ALOX12 P18054 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
SLC16A3 O15427 1/20 0.40
GLO1 Q04760 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL2904294 0.86 ALOX12 (0.53) MAPTMEN1KMT2AALDH1A1KEAP1
SCHEMBL2906908 0.83 NPC1 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2908993 0.82 MAPT (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2901726 0.78 MAPT (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2907371 0.71 MAPT (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1615356 0.71 MEN1 (0.56) MAPTMEN1KMT2AALDH1A1KEAP1
SCHEMBL1616671 0.71 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2901907 0.70 SMN1; SMN2 (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1616135 0.70 KMT2A (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1616101 0.70 KMT2A (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 MAPT 1716/4885MEN1 645/4885KMT2A 335/4885

“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.