SCHEMBL585573

SCHEMBL585573

Fc1ccc(Sc2ccccc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
HTR2C P28335 2/20 0.46
HTR6 P50406 1/20 0.46
GRM5 P41594 1/20 0.44
RHEB Q15382 2/20 0.42
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRNA7 P36544 1/20 0.39
MGLL Q99685 3/20 0.37
SLC6A4 P31645 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ANXA2 P07355 1/20 0.35

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
SCHEMBL24952543 0.88 GRM5 (0.42) MAOAMAOBGRM5RHEBCHRNA7
SCHEMBL22693473 0.83 HAO1 (0.46) HTR2CHTR6GRM5RHEBMGLL
SCHEMBL4607946 0.81 HTR2C (0.46) MAOAMAOBHTR2CHTR6BCL2
SCHEMBL4609154 0.81 MAOA (0.43) MAOAMAOBHTR2CHTR6RHEB
SCHEMBL15075247 0.81 MAOA (0.43) MAOAMAOBHTR2CHTR6BCL2
SCHEMBL28016939 0.80 NR1H2 (0.61) GRM5RHEBBCL2MCL1HPGD
SCHEMBL5684842 0.78 GRM5 (0.36) MAOAMAOBGRM5RHEBMGLL
SCHEMBL3889262 0.78 MAOA (0.56) MAOAMAOBHTR2CHTR6BCL2
SCHEMBL3904216 0.78 MAOA (0.56) MAOAMAOBHTR2CHTR6BCL2
SCHEMBL3903397 0.78 MAOA (0.56) MAOAMAOBHTR2CHTR6BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094513-B Derivatives of dibenzofuran and dibenzothiophene 默克专利股份有限公司 2023-11-03 CN disclosed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-2305640-A2 Substituted diphenyl-ethers, -amines, -sulfides and -methanes for the treatment of respiratory diseases AstraZeneca AB (SE) 2011-04-06 EP disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
CN-101326161-A Novel compounds ASTRAZENECA AB (SE) 2008-12-17 CN disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 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 (2 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS MAOA 760/4885MAOB 514/4885HTR2C 142/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC MAOA 130/4885MAOB 423/4885HTR2C 396/4885

“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.