SCHEMBL2198576

SCHEMBL2198576

Nc1cccc2cc(Sc3cccc(F)c3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.42
TYMS P04818 1/20 0.38
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.35
MGLL Q99685 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
MAP4K4 O95819 2/20 0.33
PIK3CA P42336 1/20 0.33
CHRNA7 P36544 1/20 0.33
NOTUM Q6P988 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PSMD14 O00487 1/20 0.32
STAMBP O95630 1/20 0.32
COPS5 Q92905 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
SCHEMBL2197730 0.82 HAO1 (0.42) HAO1TYMSKDM4EMEN1KMT2A
SCHEMBL3202694 0.82 HAO1 (0.42) HAO1TYMSKDM4EMEN1KMT2A
SCHEMBL2196111 0.78 PDE10A (0.49) HAO1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3708915 0.77 KDM4E (0.37) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL18796161 0.77 PDGFRB (0.46) HAO1ALDH1A1HPGDMAPTCA2
SCHEMBL6537760 0.74 PSMD14 (0.39) KDM4EPSMD14STAMBPCOPS5
SCHEMBL18279122 0.73 EPHX1 (0.40) HAO1TYMSMGLLCA2CA4
SCHEMBL482240 0.73 HAO1 (0.55) HAO1TYMSNOTUMNPC1RAB9A
SCHEMBL2198404 0.70 HTR2A (0.60)
SCHEMBL4232896 0.70 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDMAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368514-B1 TRISUBSTITUTED SILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AG (DE) 2021-08-18 EP claimed
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-01 US claimed
EP-3368514-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES Bayer CropScience Aktiengesellschaft (DE) 2018-09-05 EP claimed
WO-2017072283-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 WO claimed
EP-3368514-B1 TRISUBSTITUTED SILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AG (DE) 2021-08-18 EP disclosed
US-10683311-B2 Trisubstitutedsilylphenoxyheterocycles and analogues BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-16 US disclosed
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-01 US disclosed
EP-3368514-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES Bayer CropScience Aktiengesellschaft (DE) 2018-09-05 EP disclosed
WO-2017072283-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 WO disclosed
US-8236947-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-1956004-B1 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2012-06-13 EP disclosed
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED 2011-09-29 US disclosed
US-7799774-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
EP-1824830-B1 RADIOLABELLED QUINOLINE-BASED LIGANDS FOR THE 5-HT6 RECEPTOR FUNCTIONALITY GLAXO GROUP LTD (GB) 2010-07-14 EP disclosed
US-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands GLAXO GROUP LIMITED 2009-02-05 US disclosed
EP-1956004-A1 Quinoline derivatives and their use as 5-HT6 ligands Glaxo Group Limited (GB) 2008-08-13 EP disclosed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 US disclosed
EP-1497266-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003080580-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2003-10-02 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 (6 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-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR3B, HTR4 HAO1 3061/4885TYMS 1272/4885KDM4E 3423/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HAO1 4385/4885TYMS 3434/4885KDM4E 2860/4885
US-10683311-B2 Trisubstitutedsilylphenoxyheterocycles and analogues PIK3C3, ERG28, DDT HAO1 546/4885TYMS 1402/4885KDM4E 508/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HAO1 3496/4885TYMS 1517/4885KDM4E 4169/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 HAO1 3061/4885TYMS 1272/4885KDM4E 3423/4885
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES PIK3C3, ERG28, DDT HAO1 546/4885TYMS 1402/4885KDM4E 508/4885

“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.