SCHEMBL3887958

SCHEMBL3887958

Brc1ccccc1OCCN1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
KDM4E B2RXH2 4/20 0.54
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL2321726 0.81 KDM4E (0.69) POLBKDM4ERAB9AKMT2ATDP1
SCHEMBL1927756 0.81 POLB (0.56) POLBKDM4ERAB9AKMT2ATDP1
SCHEMBL1928614 0.78 KDM4E (0.67) POLBKDM4ERAB9AKMT2ATDP1
SCHEMBL3405632 0.78 KDM4E (0.86) POLBKDM4ERAB9AKMT2ATDP1
SCHEMBL10798879 0.75 HTR7 (0.67) KDM4ERAB9AKMT2ATDP1ALDH1A1
SCHEMBL1929728 0.75 POLB (0.56) POLBKDM4ERAB9AKMT2ATDP1
SCHEMBL1928194 0.75 KDM4E (0.64) POLBKDM4ERAB9AKMT2ATDP1
SCHEMBL2344935 0.73 HTR7 (0.64) KDM4ERAB9AKMT2ATDP1ALDH1A1
SCHEMBL701534 0.73 HTR7 (0.64) KDM4ERAB9AKMT2ATDP1ALDH1A1
SCHEMBL1927874 0.73 POLB (0.51) POLBKDM4ERAB9AKMT2ATDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 MORLEY ANDREW DAVID 2009-08-27 US disclosed
US-7553868-B2 Thiophene carboxamides as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-06-30 US disclosed
EP-1583756-B9 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2008-01-09 EP disclosed
EP-1583756-B1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-05-25 US disclosed
EP-1583756-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2005-10-12 EP disclosed
WO-2004063185-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-07-29 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 (2 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-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 RELA, NFKBIA, CSNK1E POLB 1226/4885KDM4E 343/4885RAB9A 4041/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK POLB 1421/4885KDM4E 550/4885RAB9A 3945/4885

“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.