SCHEMBL1308465

SCHEMBL1308465

O=C(Nc1ccc(Br)cc1C(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
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 2/20 0.58
NHERF1 O14745 1/20 0.57
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
CCKBR P32239 1/20 0.54
PIN1 Q13526 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL13701154 0.85 NHERF1 (0.74) NPC1LMNARAB9ASMN1; SMN2CCKAR
SCHEMBL1310023 0.84 NHERF1 (0.73) NHERF1
SCHEMBL6834022 0.82 NPC1 (0.55) NPC1LMNARAB9ASMN1; SMN2CCKAR
SCHEMBL1308155 0.81 NPC1 (0.58) NPC1LMNARAB9ASMN1; SMN2CCKAR
SCHEMBL5950457 0.81 GRIK1 (0.65) NPC1LMNARAB9ASMN1; SMN2AKR1C4
SCHEMBL9513479 0.80 MAPT (0.80) AKR1C4AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL17433428 0.79 NPC1 (0.78) NPC1LMNARAB9ASMN1; SMN2PIN1
SCHEMBL6833115 0.78 AKR1C2 (0.49) NHERF1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1306446 0.78 NHERF1 (0.74) NPC1LMNARAB9ASMN1; SMN2CCKAR
SCHEMBL21446808 0.76 CCKAR (0.66) NPC1LMNARAB9ASMN1; SMN2CCKAR

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 3 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

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 NPC1 3431/4885LMNA 1387/4885RAB9A 3031/4885

“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.