SCHEMBL1309785

SCHEMBL1309785

O=C(Cc1cccc(Cl)c1)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.53
KCNQ2 O43526 4/20 0.53
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
LRRK2 Q5S007 1/20 0.49
GAA P10253 1/20 0.49
MAPK8 P45983 1/20 0.49
PKM P14618 1/20 0.49
ACLY P53396 1/20 0.49
CACNA1G O43497 1/20 0.47

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
SCHEMBL15648896 0.87 KMT2A (0.60) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL15647380 0.87 KMT2A (0.67) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1307619 0.86 KMT2A (0.72) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1306728 0.82 MEN1 (0.65) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1308232 0.81 MEN1 (0.60) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1307882 0.80 MEN1 (0.59) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1307889 0.79 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1307097 0.78 AKR1C2 (0.76) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL8689243 0.78 TDP1 (0.68) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL27520414 0.77 HCAR2 (0.62) MEN1KMT2AALDH1A1KDM4EMAPT

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 5 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
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO 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 MEN1 2312/4885KMT2A 1570/4885ALDH1A1 1105/4885

“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.