SCHEMBL1928166

SCHEMBL1928166

Cc1c(-c2ccc(-c3ccccc3)cc2)sc(NC(N)=O)c1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
MAPT P10636 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
NPC1 O15118 2/20 0.51
GRM6 O15303 5/20 0.50
GRM5 P41594 1/20 0.50
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
IKBKB O14920 2/20 0.48
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
HPGD P15428 4/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 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
SCHEMBL1382683 0.97 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1382766 0.89 KIF11 (0.49) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1382924 0.87 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1383438 0.87 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1384699 0.86 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1382398 0.84 KIF11 (0.51) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1381277 0.84 CHEK1 (0.56) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL27502227 0.84 IKBKB (0.47) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4092649 0.83 IKBKB (0.44) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1383871 0.83 CHEK1 (0.40) ALDH1A1MAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US claimed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP claimed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US claimed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US claimed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO claimed
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
WO-2008002246-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN IKK2 INHIBITOR AND A SECOND ACTIVE INGRDIENT. ASTRAZENECA AB (SE) 2008-01-03 WO 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 ALDH1A1 229/4885MAPT 2155/4885MEN1 1642/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 ALDH1A1 52/4885MAPT 2306/4885MEN1 1990/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 ALDH1A1 229/4885MAPT 2155/4885MEN1 1642/4885

“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.