SCHEMBL1927451

SCHEMBL1927451

Oc1ccc(Br)c(OCCN2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.56
ESR2 Q92731 10/20 0.56
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49

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 0.82 LTA4H (0.52) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1928729 0.81 KCNH2 (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1927551 0.81 KCNH2 (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13537998 0.77 SMN1; SMN2 (0.51) ESR1ESR2KDM4EMEN1KMT2A
SCHEMBL14970510 0.77 SMN1; SMN2 (0.55) ESR1ESR2KDM4EMEN1KMT2A
SCHEMBL1929030 0.77 LTA4H (0.50) KDM4ESMN1; SMN2POLBGAAL3MBTL1
SCHEMBL1929553 0.77 MCHR1 (0.53) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2321726 0.76 KDM4E (0.69) KDM4EALDH1A1KMT2APOLBRAB9A
SCHEMBL1929557 0.76 POLB (0.50) KDM4EALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL1929274 0.76 LTA4H (0.48) KDM4EALDH1A1KMT2ASMN1; SMN2L3MBTL1

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 ESR1 761/4885ESR2 913/4885KDM4E 665/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 ESR1 1997/4885ESR2 790/4885KDM4E 630/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 ESR1 761/4885ESR2 913/4885KDM4E 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.