SCHEMBL3948641

SCHEMBL3948641

CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.39
AGTR2 P50052 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL3124004 0.97 LTB4R2 (0.41) AGTR1AGTR2LTB4R2HDAC3HDAC4
SCHEMBL4614467 0.87 AGTR1 (0.37) AGTR1
Hydrochloric Acid SCHEMBL3954567 0.86 AGTR1 (0.36) AGTR1
SCHEMBL13841581 0.86
SCHEMBL3954386 0.86 LTB4R2 (0.40) AGTR1AGTR2LTB4R2HDAC3HDAC4
SCHEMBL13843472 0.85 MTOR (0.37) AGTR1
SCHEMBL3954395 0.85 SOAT1 (0.45) AGTR1LTB4R2HDAC3HDAC4HDAC1
SCHEMBL3946218 0.84 SOAT1 (0.47)
SCHEMBL3127027 0.83 LTB4R2 (0.45) AGTR1AGTR2LTB4R2
SCHEMBL3117096 0.83 HDAC6 (0.56) AGTR1AGTR2LTB4R2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531576-B2 Biphenyl derivatives POLA CHEMICAL INDUSTRIES, INC. (JP) 2009-05-12 US disclosed
US-7531576-B2 Biphenyl derivatives POLA CHEMICAL INDUSTRIES, INC. (JP) 2009-05-12 US disclosed
EP-1354871-B1 BIPHENYL DERIVATIVES POLA PHARMA INC (JP) 2008-02-20 EP disclosed
US-20040048909-A1 N-alkyl-N-(p-substituted-phenyl)benzylamine that is N-substituted with carbocyclic aminocarbonylalkylene, aminocarbonyl, or aminocarbonylaminosulfonyl; ACAT inhibitors; treating e.g.,hypercholesterolemia and atherosclerosis POLA CHEMICAL INDUSTRIES, INC. (JP) 2004-03-11 US disclosed
EP-1354871-A1 BIPHENYL DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-10-22 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 (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-20040048909-A1 N-alkyl-N-(p-substituted-phenyl)benzylamine that is N-substituted with carbocyclic aminocarbonylalkylene, aminocarbonyl, or aminocarbonylaminosulfonyl; ACAT inhibitors; treating e.g.,hypercholesterolemia and atherosclerosis ACAT2, LCAT, NAT1 AGTR1 249/4885AGTR2 272/4885LTB4R2 1743/4885

“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.