SCHEMBL1928573

SCHEMBL1928573

COCCOCCOc1ccc(Br)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 2/20 0.56
POLB P06746 1/20 0.55
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 3/20 0.50
S1PR4 O95977 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL8420493 0.95 KDM4E (0.60) KDM4EMAPTHPGDPOLBLMNA
SCHEMBL31437826 0.95 KDM4E (0.60) KDM4EMAPTHPGDPOLBLMNA
SCHEMBL7928457 0.87 KDM4E (0.58) KDM4EMAPTHPGDPOLBLMNA
SCHEMBL7922054 0.85 KDM4E (0.56) KDM4EMAPTHPGDPOLBLMNA
SCHEMBL1930261 0.82 KMT2A (0.55) KDM4EMAPTHPGDLMNASMN1; SMN2
SCHEMBL8265598 0.81 HPGD (0.50) KDM4EMAPTHPGDPOLBLMNA
SCHEMBL12180473 0.80 L3MBTL1 (0.65) KDM4EMAPTHPGDPOLBLMNA
SCHEMBL15969116 0.80 HPGD (0.54) KDM4EHPGDPOLBLMNASMN1; SMN2
SCHEMBL11649440 0.80 CSNK2A1 (0.60) KDM4EMAPTHPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL61926 0.79 L3MBTL1 (0.46) KDM4EMAPTHPGDPOLBLMNA

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 KDM4E 665/4885MAPT 2155/4885HPGD 3323/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 KDM4E 630/4885MAPT 2306/4885HPGD 2826/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 KDM4E 665/4885MAPT 2155/4885HPGD 3323/4885

“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.