SCHEMBL1930261

SCHEMBL1930261

COCCOCCOc1ccc(Br)cc1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 10/20 0.54
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 1/20 0.46
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL4573266 0.95 KDM4E (0.58) KMT2AMEN1KDM4EHTTSMN1; SMN2
SCHEMBL13642025 0.89 KDM4E (0.50) KMT2AMEN1KDM4EHTTSMN1; SMN2
SCHEMBL7929527 0.87 HTT (0.56) KMT2AMEN1KDM4EHTTL3MBTL1
SCHEMBL7931144 0.85 HTT (0.54) KMT2AMEN1KDM4EHTTSMN1; SMN2
SCHEMBL15430848 0.83 HTR1A (0.57) KMT2AMEN1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL1928573 0.82 KDM4E (0.58) KMT2AMEN1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL5173975 0.81 KDM4E (0.45) KMT2AMEN1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL1516692 0.80 FBP1 (0.44) KMT2AMEN1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL31053304 0.80 FBP1 (0.44) KMT2AMEN1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL863233 0.80 HTR1A (0.45) KMT2AMEN1KDM4EHTTL3MBTL1

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 KMT2A 1576/4885MEN1 1642/4885KDM4E 665/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 KMT2A 2712/4885MEN1 1990/4885KDM4E 630/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 KMT2A 1576/4885MEN1 1642/4885KDM4E 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.