SCHEMBL3538768

SCHEMBL3538768

Fc1ccc(Cl)cc1-c1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.38
S100A4 P26447 2/20 0.35
ACLY P53396 1/20 0.35
MME P08473 3/20 0.33
ACE P12821 1/20 0.33
AHR P35869 2/20 0.32
PPOX P50336 1/20 0.32
CHRM1 P11229 2/20 0.32
HSD11B1 P28845 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL434681 0.86 GRM2 (0.41) FASNS100A4ACLYAHRHSD11B1
SCHEMBL534233 0.81 TP53 (0.42) S100A4AHR
SCHEMBL533219 0.81 CA9 (0.38) CA1CA2LMNA
SCHEMBL31067176 0.78 NPC1 (0.46) FASNGABRPGABRDGABRA1GABRB1
SCHEMBL20904953 0.78 NPC1 (0.46) FASNGABRPGABRDGABRA1GABRB1
SCHEMBL7827880 0.78 ACLY (0.50) S100A4ACLYHSD11B1LMNA
SCHEMBL5327678 0.78 NISCH (0.45)
SCHEMBL27483871 0.78 CA1 (0.47) CA1CA2LMNA
SCHEMBL6279612 0.78 TSHR (0.46) S100A4
SCHEMBL3540538 0.77 ACLY (0.35) FASNS100A4ACLYCHRM1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114845994-A Insect-repellent compound comprising quinoline structure 英特维特国际股份有限公司 2022-08-02 CN disclosed
EP-3099678-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2016-12-07 EP disclosed
WO-2015116786-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-06 WO disclosed
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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 (3 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 FASN 4870/4885S100A4 152/4885ACLY 2457/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 FASN 3808/4885S100A4 864/4885ACLY 1265/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 FASN 4860/4885S100A4 122/4885ACLY 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.