SCHEMBL4520769

SCHEMBL4520769

O=C(O)N1CCCn2c1nc1cnc3cc(Br)ccc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
SLC22A12 Q96S37 1/20 0.35
MAPT P10636 3/20 0.35
PTGES O14684 4/20 0.33
PREP P48147 1/20 0.32
CYP8B1 Q9UNU6 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
CRHBP P24387 1/20 0.32
RAB9A P51151 1/20 0.32
CRHR2 Q13324 1/20 0.32
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
CASP3 P42574 1/20 0.30

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
SCHEMBL205088 0.84 BACE1 (0.34) POLBMAPTCYP8B1
SCHEMBL4531052 0.80 MAPT (0.35) POLBMAPTPTGESKDM4EALDH1A1
SCHEMBL205109 0.71 PIK3CA (0.39) PTGESPREPKMT2AACHE
SCHEMBL1233797 0.70 CYP8B1 (0.38) MAPTPREPCYP8B1KMT2AMEN1
SCHEMBL203265 0.66 TLR7 (0.39)
SCHEMBL26620634 0.66 PROKR1 (0.43) PREPCYP8B1KDM4EALDH1A1TDP1
SCHEMBL26620636 0.66 PROKR1 (0.43) PREPCYP8B1KDM4EALDH1A1TDP1
SCHEMBL26619957 0.66 PREP (0.37) PREPCYP8B1KMT2AMEN1
SCHEMBL26619954 0.66 PREP (0.37) PREPCYP8B1KMT2AMEN1
SCHEMBL3873767 0.64 P2RX3 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 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-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 POLB 1440/4885SLC22A12 4701/4885MAPT 4635/4885

“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.