SCHEMBL1929274

SCHEMBL1929274

Brc1ccc(OC2CCCC2)cc1OCCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.48
PTGS2 P35354 2/20 0.46
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 5/20 0.44
KCNH2 Q12809 2/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS1 P23219 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1929134 0.79 LTA4H (0.52) LTA4HPTGS2PSMB1PSMB5PSMB2
SCHEMBL1929030 0.79 LTA4H (0.50) LTA4HPTGS2PSMB1PSMB5PSMB2
SCHEMBL1927451 0.76 ESR1 (0.56) SMN1; SMN2TSHRL3MBTL1KDM4EALDH1A1
SCHEMBL1927551 0.75 KCNH2 (0.51) LTA4HPTGS2SMN1; SMN2HRH3KCNH2
SCHEMBL1928729 0.75 KCNH2 (0.51) LTA4HPTGS2SMN1; SMN2HRH3KCNH2
SCHEMBL9998836 0.73 HRH3 (0.46) SMN1; SMN2HRH3ALDH1A1
SCHEMBL27540906 0.72 CACNA1F (0.44) SMN1; SMN2HRH3TSHRKDM4EALDH1A1
SCHEMBL1928309 0.72 ENPP1 (0.53) SMN1; SMN2HRH3KCNH2L3MBTL1KDM4E
SCHEMBL2321726 0.70 KDM4E (0.69) TSHRKDM4EALDH1A1KMT2A
SCHEMBL1776035 0.70 HRH3 (0.62) HRH3KCNH2ATML3MBTL1KDM4E

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
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 LTA4H 1678/4885PTGS2 1709/4885PSMB1 4153/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 LTA4H 2569/4885PTGS2 1769/4885PSMB1 3954/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 LTA4H 1678/4885PTGS2 1709/4885PSMB1 4153/4885

“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.