SCHEMBL5009937

SCHEMBL5009937

N#Cc1ccc(Br)cc1N[C@H]1CCC[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.38
AR P10275 4/20 0.36
KMT2A Q03164 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
IDH1 O75874 1/20 0.32
PIM1 P11309 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL4581365 0.77 PRKCQ (0.48) KMT2ANOS3NOS1NOS2MEN1
SCHEMBL12820379 0.77 PRKCQ (0.48) KMT2ANOS3NOS1NOS2MEN1
SCHEMBL495783 0.77 MEN1 (0.47) KMT2ANOS3NOS1NOS2KDM4E
SCHEMBL5005581 0.76 PTGS1 (0.36) IRAK4PTGS1PTGS2PDE3BPDE3A
SCHEMBL23329034 0.73 IRAK4 (0.39) IRAK4
SCHEMBL5005536 0.73 PTGS1 (0.34) IRAK4KMT2AKDM4EMEN1NPC1
SCHEMBL18704880 0.73 AR (0.58) AR
SCHEMBL14874068 0.73 AR (0.58) AR
SCHEMBL19630038 0.73 IRAK4 (0.39) IRAK4
SCHEMBL29740094 0.73 IRAK4 (0.39) IRAK4

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-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 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-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 IRAK4 3747/4885AR 2922/4885KMT2A 4294/4885

“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.