SCHEMBL2111862

SCHEMBL2111862

CC(=O)N(Cc1ccccc1)c1ncc(Br)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.50
KDM4E B2RXH2 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
POLB P06746 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.42
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL4822461 0.76 TSPO (0.62) TSPOALDH1A1LMNALTB4R2SMN1; SMN2
SCHEMBL20394335 0.76 LMNA (0.48) KDM4EHSD17B10ALDH1A1LMNAAPOBEC3A
SCHEMBL2111844 0.73 PDK1 (0.45) TSPOKDM4ECASP1CASP7HSD17B10
SCHEMBL5694553 0.73 TSPO (0.72) TSPOALDH1A1LTB4R2TSHRSMN1; SMN2
SCHEMBL28133350 0.73 ALDH1A1 (0.55) TSPOMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2114576 0.73 ALDH1A1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL19650787 0.72 TSPO (0.56) TSPOMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7776521 0.72 POLB (0.71) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5761774 0.72 ALDH1A1 (0.55) MEN1KMT2AL3MBTL1ALDH1A1APOBEC3A
SCHEMBL2112891 0.72 GRM2 (0.47) L3MBTL1ALDH1A1TSHRSMN1; SMN2

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 TSPO 844/4885KDM4E 1696/4885CASP1 3144/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 TSPO 844/4885KDM4E 1696/4885CASP1 3144/4885

“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.