SCHEMBL979562

SCHEMBL979562

O=C(O)c1ccc2oc(-c3cccnc3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.59
PIM2 Q9P1W9 1/20 0.59
KMO O15229 2/20 0.55
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
S1PR1 P21453 1/20 0.51
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
IP6K1 Q92551 1/20 0.47
IP6K3 Q96PC2 1/20 0.47
IP6K2 Q9UHH9 1/20 0.47
TBXAS1 P24557 1/20 0.45
ALDH1A1 P00352 1/20 0.45
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ABL1 P00519 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
SCHEMBL981462 0.85 CYP19A1 (0.64) PIM1PIM2S1PR1MAOAMAOB
SCHEMBL977340 0.84 FFAR1 (0.58) MAOBHDAC6FFAR1
SCHEMBL11565251 0.83 TNKS (0.55) PIM1PIM2KMOMKNK1MKNK2
SCHEMBL11565093 0.81 TNKS (0.55) KMOMKNK1MKNK2MAOAMAOB
SCHEMBL14677366 0.81 KDM4E (0.65) PIM1PIM2S1PR1MAOAMAOB
SCHEMBL15867533 0.79 CYP19A1 (0.51) PIM1PIM2MAOAMAOBALDH1A1
SCHEMBL12872332 0.77 KDM4E (0.68) ALDH1A1HDAC6KDM4E
SCHEMBL30402815 0.77 KDM4E (0.68) ALDH1A1HDAC6KDM4E
SCHEMBL29993564 0.76 MAOB (0.54) MAOAMAOBALDH1A1KDM4EPGR
SCHEMBL2960606 0.76 MAOB (0.54) MAOAMAOBALDH1A1KDM4EPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 PIM1 1861/4885PIM2 2975/4885KMO 830/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PIM1 1947/4885PIM2 2904/4885KMO 1255/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PIM1 1947/4885PIM2 2904/4885KMO 1255/4885

“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.