SCHEMBL1929792

SCHEMBL1929792

CC(=O)Cc1ccc(OCc2ccc(Cl)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MAOB P27338 4/20 0.44
MAOA P21397 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALOX5 P09917 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.39
NR4A2 P43354 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1928563 0.77 MAOB (0.71) POLBMAOBMAOAALDH1A1RAB9A
SCHEMBL13799436 0.77 MEN1 (0.46) POLBMAOBMAOAL3MBTL1TDP1
SCHEMBL10389105 0.76 CYP1A2 (0.61) POLBMAOBMAOAL3MBTL1TDP1
SCHEMBL4239545 0.76 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2HTTKMT2A
SCHEMBL7931061 0.73 CYP1A2 (0.41) POLBL3MBTL1TDP1ALDH1A1RAB9A
SCHEMBL7931059 0.72 CYP1A2 (0.44) POLBMAOBL3MBTL1TDP1ALDH1A1
SCHEMBL68570 0.72 ALOX5 (0.69) MAOBL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL2628188 0.71 POLB (0.59) POLBL3MBTL1TDP1ALDH1A1RAB9A
SCHEMBL1376135 0.70 POLB (0.54) POLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21483718 0.70 POLB (0.54) POLBL3MBTL1ALDH1A1SMN1; SMN2

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 POLB 3528/4885MAOB 577/4885MAOA 1381/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 POLB 3727/4885MAOB 852/4885MAOA 1534/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 POLB 3528/4885MAOB 577/4885MAOA 1381/4885

“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.