SCHEMBL203184

SCHEMBL203184

O=[N+]([O-])c1c(Cl)cnc2cc(Br)ccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.44
EGFR P00533 4/20 0.42
ALDH1A1 P00352 2/20 0.38
S1PR4 O95977 1/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNF P01375 1/20 0.35

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
SCHEMBL30074833 0.79 PTGES (0.49) PTGESEGFRMAPT
SCHEMBL202476 0.79 PTGES (0.49) PTGESEGFRMAPT
SCHEMBL202480 0.78 MEN1 (0.45) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL19890459 0.75 PTGES (0.46) PTGESSMN1; SMN2TNF
SCHEMBL31424455 0.75 PTGES (0.51) PTGESEGFRMAPT
SCHEMBL30583451 0.73 TSHR (0.37) PTGESEGFRALDH1A1S1PR4TSHR
SCHEMBL26620010 0.73 PTGES (0.49) PTGESEGFRALDH1A1MAPT
SCHEMBL842126 0.73 TSHR (0.37) PTGESEGFRALDH1A1S1PR4TSHR
SCHEMBL1490598 0.73 PTGES (0.49) PTGESEGFRALDH1A1MAPTMAPK1
SCHEMBL30074880 0.73 PTGES (0.49) PTGESEGFRALDH1A1MAPTMAPK1

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-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 US disclosed
WO-2007106852-A2 SUBSTITUTED FUSED[1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 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-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 PTGES 181/4885EGFR 2824/4885ALDH1A1 979/4885

“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.