SCHEMBL1928491

SCHEMBL1928491

COCCN1CCC(Oc2ccccc2Br)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
KDM1A O60341 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
SCD O00767 1/20 0.39
MCHR1 Q99705 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL1926800 0.83 ALDH1A1 (0.46) KDM4EKMT2ATDP1ALDH1A1LMNA
SCHEMBL1927488 0.80 UTS2R (0.51) UTS2RSSTR1SSTR4
SCHEMBL1926914 0.80 LMNA (0.42) KDM4EKMT2ATDP1ALDH1A1LMNA
SCHEMBL3886322 0.78 MCHR1 (0.59) KMT2AALDH1A1UTS2RMCHR1SMN1; SMN2
SCHEMBL1929245 0.78 SMN1; SMN2 (0.51) KDM4EKMT2AALDH1A1LMNAHTR1A
SCHEMBL3892467 0.75 MCHR1 (0.50) MCHR1SMN1; SMN2
SCHEMBL9129780 0.73 PDE10A (0.45) KMT2ACARM1PRMT6MCHR1
SCHEMBL1926949 0.72 HRH3 (0.43) SCDMCHR1
SCHEMBL1928080 0.72 SCD (0.37) KDM4EKMT2ATDP1ALDH1A1LMNA
SCHEMBL13193523 0.71 GBA1 (0.39) ALDH1A1KDM1A

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 665/4885KMT2A 1576/4885TDP1 2120/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 KDM4E 630/4885KMT2A 2712/4885TDP1 1385/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 KDM4E 665/4885KMT2A 1576/4885TDP1 2120/4885

“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.