SCHEMBL1307229

SCHEMBL1307229

O=C(Nc1c(Br)cc(Br)cc1C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
PRSS12 P56730 1/20 0.48
GPR35 Q9HC97 1/20 0.48
TSHR P16473 1/20 0.46
BCAT2 O15382 1/20 0.46
SLC16A3 O15427 1/20 0.46
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
EPHX2 P34913 1/20 0.44
RPA1 P27694 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43

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
SCHEMBL1307683 0.86 PRSS12 (0.56) MEN1KMT2ANPC1MAPTPKM
SCHEMBL1308305 0.83 GRIK1 (0.56) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL4601967 0.81 MEN1 (0.50) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL1308635 0.80 AKR1C2 (0.65) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL1309308 0.80 MAPT (0.49) MAPTRAB9ASLC16A3
SCHEMBL14075225 0.73 MEN1 (0.66) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL14075215 0.73 MEN1 (0.53) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL7985780 0.71 AKR1C3 (0.52) MEN1KMT2AKDM4EMAPTGPR35
SCHEMBL8528629 0.71 AKR1C3 (0.52) MEN1KMT2AKDM4EMAPTGPR35
SCHEMBL6790473 0.71 KMT2A (0.43) MEN1KMT2AKDM4ENPC1MAPT

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 1570/4885KDM4E 724/4885

“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.