SCHEMBL3948155

SCHEMBL3948155

CCCCC(=O)NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.57
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49
EPHX2 P34913 4/20 0.46
HPGD P15428 3/20 0.44
ALDH1A1 P00352 1/20 0.44
AGT P01019 2/20 0.43
POLB P06746 2/20 0.43
FAAH O00519 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL13679199 0.89 AGTR1 (0.47) LTB4R2AGTR1AGTR2HPGDAGT
SCHEMBL3370402 0.87 AGTR1 (0.46) LTB4R2AGTR1AGTR2EPHX2HPGD
SCHEMBL4735569 0.83 SOAT1 (0.47) AGTR1AGTR2HPGDALDH1A1POLB
SCHEMBL9541811 0.83 AGTR1 (0.50) AGTR1AGTR2AGTHTR1AHTR7
SCHEMBL9084585 0.82 AGTR1 (0.47) LTB4R2AGTR1AGTR2AGTHDAC1
SCHEMBL489527 0.82 AGTR1 (0.49) AGTR1AGTR2AGT
SCHEMBL9022990 0.82 AGTR1 (0.48) LTB4R2AGTR1AGTR2AGT
SCHEMBL9421635 0.81 AGTR1 (0.44) LTB4R2AGTR1AGTR2HPGDALDH1A1
SCHEMBL3950208 0.81 AGTR1 (0.49) AGTR1AGTR2AGT
SCHEMBL8532808 0.81 AGTR1 (0.51) AGTR1AGTR2ALDH1A1AGTMEN1

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 6 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
EP-1354871-B1 BIPHENYL DERIVATIVES POLA PHARMA INC (JP) 2008-02-20 EP disclosed
US-7312340-B2 Synthesis of 2-butyl-3-(1-trityl-1H-tetrazol-5-YL)biphenyl-4-YL)-1,3-diazaspiro[4,4]- non-ene-4-one TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-25 US disclosed
US-7312340-B2 Synthesis of 2-butyl-3-(1-trityl-1H-tetrazol-5-YL)biphenyl-4-YL)-1,3-diazaspiro[4,4]- non-ene-4-one TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-25 US 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 LTB4R2 1743/4885AGTR1 249/4885AGTR2 272/4885

“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.