SCHEMBL2111844

SCHEMBL2111844

CC(=O)N(Cc1ccccc1)c1ncc(-c2cc(Cl)ccc2O)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 7/20 0.45
TSPO P30536 2/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LTB4R2 Q9NPC1 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
VEGFA P15692 1/20 0.38
FLT1 P17948 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
SCHEMBL1690311 0.84 PTGDR2 (0.59) MEN1KMT2A
SCHEMBL2113204 0.81 ALDH1A1 (0.43) PDK1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2113926 0.80 TRPM8 (0.39) PDK1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2111862 0.73 TSPO (0.50) TSPOLMNALTB4R2MEN1KMT2A
SCHEMBL5764248 0.72 VNN1 (0.53) LMNACYP3A4NPSR1MEN1KMT2A
SCHEMBL27658652 0.70 IDO1 (0.37) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2110554 0.69 IDO1 (0.39) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9161045 0.69 FABP4 (0.47) PDK1TSPOLMNACYP1A2CYP3A4
SCHEMBL1753571 0.68 PTGDR2 (0.57) MEN1KMT2A
SCHEMBL5762743 0.67 PTGDR2 (0.56) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
CN-100575330-C Novel compounds ASTRAZENECA AB 2009-12-30 CN disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
CN-1791572-A Novel compounds ASTRAZENECA AB (SE) 2006-06-21 CN disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PDK1 517/4885TSPO 844/4885LMNA 2362/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PDK1 517/4885TSPO 844/4885LMNA 2362/4885

“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.