SCHEMBL1307939

SCHEMBL1307939

O=C(O)c1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.65
HDAC8 Q9BY41 6/20 0.65
HDAC6 Q9UBN7 6/20 0.65
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KCNMA1 Q12791 1/20 0.58
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
PPARG P37231 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
SLC16A3 O15427 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL1307862 0.84 MEN1 (0.79) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL4971972 0.82 KCNMA1 (0.58) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL403235 0.82 MEN1 (0.68) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL15936047 0.81 MEN1 (0.59) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL1811760 0.80 KCNK3 (0.79) MEN1KMT2AKCNK3KCNK9MAPT
SCHEMBL13802448 0.80 MEN1 (0.78) MEN1KMT2AKCNK3KCNK9MAPT
SCHEMBL8819672 0.80 MEN1 (0.82) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL14007286 0.79 KCNMA1 (0.71) MEN1KMT2AKCNMA1KCNK3KCNK9
Hydrochloric Acid SCHEMBL2107467 0.79 KCNK3 (0.77) MEN1KMT2AKCNK3KCNK9MAPT
SCHEMBL38766 0.79 PARP1 (0.65) KCNK3KCNK9NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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 (1 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 HDAC1 889/4885HDAC8 3665/4885HDAC6 3002/4885

“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.