SCHEMBL1306446

SCHEMBL1306446

O=C(Nc1cc(Cl)ccc1C(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 4/20 0.74
GRIK1 P39086 7/20 0.70
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CCKAR P32238 1/20 0.55
GRIK2 Q13002 1/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
DAO P14920 1/20 0.52
HPGD P15428 1/20 0.52
SRD5A2 P31213 1/20 0.52
HSD17B10 Q99714 1/20 0.52
EGFR P00533 1/20 0.52
PIK3CA P42336 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL1308355 0.90 NHERF1 (0.81) NHERF1GRIK1NPC1RAB9A
SCHEMBL13701154 0.85 NHERF1 (0.74) NHERF1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5401686 0.85 NHERF1 (0.78) NHERF1GRIK1NPC1RAB9AKDM4E
SCHEMBL2721805 0.83 NHERF1 (0.64) NHERF1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL1310106 0.80 GRIK1 (0.74) GRIK1MAPT
SCHEMBL16627058 0.79 NPC1 (0.78) NHERF1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL1308465 0.78 NPC1 (0.59) NHERF1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2721536 0.76 EGFR (0.59) NHERF1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5410224 0.76 NHERF1 (0.67) NHERF1NPC1RAB9AKDM4EMAPT
SCHEMBL5405858 0.75 NHERF1 (0.67) NHERF1NPC1LMNARAB9ASMN1; SMN2

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 NHERF1 764/4885GRIK1 2986/4885NPC1 3431/4885

“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.