SCHEMBL338711

SCHEMBL338711

N#C[CH]c1cccc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MGLL Q99685 2/20 0.40
MAOA P21397 1/20 0.40
FAAH O00519 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
KMO O15229 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL27286718 0.80 ALDH1A1 (0.44) ALDH1A1MGLLATMCA1BCL2L1
SCHEMBL8904307 0.80 ENPP2 (0.54) TRIM24TRIM33ALDH1A1MAOABCL2L1
SCHEMBL8904305 0.80 ENPP2 (0.54) TRIM24TRIM33ALDH1A1MAOABCL2L1
SCHEMBL224946 0.79
SCHEMBL14876890 0.79 TRIM24 (0.41) TRIM24TRIM33ALDH1A1MGLLMAOA
SCHEMBL11153461 0.77 TLR4 (0.54) HSP90AA1PKMHTTKDM4ETP53
SCHEMBL2843934 0.75 MAOA (0.48) TRIM24TRIM33ALDH1A1MGLLMAOA
SCHEMBL10544818 0.75 CALM1 (0.44) ALDH1A1MAOAATMBCL2L1PRSS1
SCHEMBL10547540 0.75 MAOA (0.49) ALDH1A1MAOAHDAC4HDAC2HDAC8
SCHEMBL11065825 0.75 MAPT (0.54) ALDH1A1HTTKDM4EPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294968-A1 POLYACRYLATE-BASED ACTIVE COMPOUND-COMPRISING PARTICLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US disclosed
EP-2736326-A1 POLYACRYLATE-BASED ACTIVE COMPOUND-COMPRISING PARTICLES Bayer Intellectual Property GmbH (DE) 2014-06-04 EP disclosed
WO-2013014127-A1 POLYACRYLATE-BASED ACTIVE COMPOUND-COMPRISING PARTICLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-31 WO disclosed
US-8097603-B2 Compositions for controlling parasites on animals BAYER ANIMAL HEALTH GMBH (DE) 2012-01-17 US disclosed
US-20070259834-A1 Dermally Applicable Liquid Formulations for Controlling Parasitic Arthropods on Animals BAYER HEALTH CARE AG (DE) 2007-11-08 US disclosed
US-20060252728-A1 Compositions for controlling parasites on animals BAYER HEALTHCARE AG (DE) 2006-11-09 US disclosed
US-20060111323-A1 Use of polysiloxanes having quaternary ammonium groups as formulation auxiliaries, and compositions comprising them BAYER ANIMAL HEALTH GMBH (DE) 2006-05-25 US disclosed
US-7025978-B1 Use of polysiloxanes containing quarternary amino groups as formulation auxiliary agents, and agents containing the same BAYER AG (DE) 2006-04-11 US disclosed
EP-1241943-B1 USE OF POLYSILOXANES CONTAINING QUATERNARY AMINO GROUPS AS FORMULATION AUXILIARY AGENTS, AND AGENTS CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2005-03-02 EP disclosed
EP-1241943-A1 USE OF POLYSILOXANES CONTAINING QUATERNARY AMINO GROUPS AS FORMULATION AUXILIARY AGENTS, AND AGENTS CONTAINING THE SAME Bayer Aktiengesellschaft (DE) 2002-09-25 EP disclosed
WO-2001035739-A1 USE OF POLYSILOXANES CONTAINING QUATERNARY AMINO GROUPS AS FORMULATION AUXILIARY AGENTS, AND AGENTS CONTAINING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 WO disclosed
CN-1140016-A Pesticidal composition CIBA GEIGY AG (CH) 1997-01-15 CN disclosed
EP-0160182-B1 INSECTICIDAL AQUEOUS-BASED MICRO EMULSION COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1993-03-03 EP disclosed
US-4904695-A BLEND WITH SURFACTANT, ANTIFOAM AGENT, THICKENERS, ANTIFREEZE AGENT AND PRESERVATIVE AMERICAN CYANAMID COMPANY (US) 1990-02-27 US disclosed
EP-0160182-A2 Insecticidal aqueous-based micro emulsion compositions AMERICAN CYANAMID COMPANY (US) 1985-11-06 EP 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 (4 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-20070259834-A1 Dermally Applicable Liquid Formulations for Controlling Parasitic Arthropods on Animals CUTA, DDT, TYR TRIM24 3124/4885TRIM33 2413/4885ALDH1A1 2598/4885
US-20060252728-A1 Compositions for controlling parasites on animals MELK, DEK, CUTA TRIM24 2582/4885TRIM33 1289/4885ALDH1A1 4814/4885
US-20140294968-A1 POLYACRYLATE-BASED ACTIVE COMPOUND-COMPRISING PARTICLES PLOD3, CUTA, NUP205 TRIM24 715/4885TRIM33 370/4885ALDH1A1 822/4885
US-20060111323-A1 Use of polysiloxanes having quaternary ammonium groups as formulation auxiliaries, and compositions comprising them PIGS, PSMD9, PSMC2 TRIM24 2288/4885TRIM33 706/4885ALDH1A1 3218/4885

“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.