SCHEMBL2906857

SCHEMBL2906857

CC1(C)Cc2cccc(Nc3ccc4c(NS(=O)(=O)c5cc(F)cc(F)c5)cccc4n3)c2O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
CLK1 P49759 1/20 0.33
MAPK10 P53779 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
RECQL P46063 1/20 0.32
EPHB4 P54760 1/20 0.32
PKM P14618 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32

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
SCHEMBL2908657 0.84 MAPK10 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL2902345 0.82 EPHB4 (0.47) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL2905425 0.82 RECQL (0.34) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2905055 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL3957768 0.80 RAB9A (0.36) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL2905319 0.79 LMNA (0.44) ALDH1A1LMNAHTTMAPTMEN1
SCHEMBL2906708 0.79 IDO1 (0.42) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL2907742 0.78 RECQL (0.53) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL2905387 0.77 RECQL (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2906872 0.76 SLC10A2 (0.45) ALDH1A1SMN1; SMN2HTTMAPTMEN1

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 ALDH1A1 872/4885SMN1; SMN2 753/4885LMNA 2311/4885

“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.