SCHEMBL1929030

SCHEMBL1929030

COCCOc1ccc(Br)c(OCCN2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGS2 P35354 1/20 0.50
PSMB1 P20618 4/20 0.49
PSMB5 P28074 4/20 0.49
PSMB2 P49721 3/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 5/20 0.48

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
SCHEMBL1776035 0.82 HRH3 (0.62) ATML3MBTL1KDM4EPOLBHRH3
SCHEMBL1929274 0.79 LTA4H (0.48) LTA4HATML3MBTL1PTGS2PSMB1
SCHEMBL2326590 0.78 KDM4E (0.66) LTA4HPTGS2KDM4ESMN1; SMN2HRH3
SCHEMBL18410137 0.77 HRH3 (0.56) ATML3MBTL1KDM4EPOLBHRH3
SCHEMBL1927451 0.77 ESR1 (0.56) L3MBTL1KDM4EPOLBGAASMN1; SMN2
SCHEMBL1929134 0.77 LTA4H (0.52) LTA4HPTGS2PSMB1PSMB5PSMB2
SCHEMBL1928729 0.76 KCNH2 (0.51) LTA4HPTGS2KDM4ESMN1; SMN2HRH3
SCHEMBL13849416 0.76 KDM4E (0.59) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL1927551 0.76 KCNH2 (0.51) LTA4HPTGS2KDM4ESMN1; SMN2HRH3
SCHEMBL6042831 0.76 MAOB (0.57) PSMB1PSMB5PSMB2KDM4EPOLB

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 1678/4885ATM 3449/4885L3MBTL1 4086/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 LTA4H 2569/4885ATM 3543/4885L3MBTL1 4397/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 LTA4H 1678/4885ATM 3449/4885L3MBTL1 4086/4885

“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.