SCHEMBL1928833

SCHEMBL1928833

Brc1ccccc1OCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
HTR7 P34969 1/20 0.55
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 1/20 0.46
HPGD P15428 2/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 1/20 0.46
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL30608266 1.00 LMNA (0.57) LMNAHTR7KDM4EMEN1KMT2A
SCHEMBL1928203 0.89 HTR7 (0.51) LMNAHTR7KDM4EMEN1KMT2A
SCHEMBL1927413 0.85 HTR7 (0.49) LMNAHTR7KDM4EMEN1KMT2A
SCHEMBL17912813 0.85 CYP11B1 (0.56) LMNAKDM4ERAB9ANPC1CYP11B1
SCHEMBL10798879 0.83 HTR7 (0.67) LMNAHTR7KDM4EMEN1KMT2A
SCHEMBL2344935 0.81 HTR7 (0.64) LMNAHTR7KDM4EMEN1KMT2A
SCHEMBL701534 0.81 HTR7 (0.64) LMNAHTR7KDM4EMEN1KMT2A
SCHEMBL30914306 0.79 LMNA (0.53) LMNAHTR7KDM4EMEN1KMT2A
SCHEMBL4772591 0.79 LMNA (0.53) LMNAHTR7KDM4EMEN1KMT2A
SCHEMBL29414783 0.79 MAPT (0.59) LMNAHTR7KDM4EMEN1KMT2A

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 10 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
CN-1263751-C Novel compounds ASTRAZENECA AB (SE) 2006-07-12 CN disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
CN-1541214-A Novel compounds 2004-10-27 CN 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 LMNA 3591/4885HTR7 1366/4885KDM4E 665/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 LMNA 3431/4885HTR7 1222/4885KDM4E 630/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 LMNA 3591/4885HTR7 1366/4885KDM4E 665/4885

“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.