SCHEMBL3864103

SCHEMBL3864103

O=C(O)NCCNc1c([N+](=O)[O-])cnc2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EGFR P00533 4/20 0.35
CSF1R P07333 1/20 0.35
GAA P10253 2/20 0.34
SIRT5 Q9NXA8 2/20 0.34
FBP1 P09467 1/20 0.34
PTGFR P43088 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL3864107 1.00 PTGES (0.40) PTGESMAPTALDH1A1HPGDMAPK1
SCHEMBL3868943 0.94 MAPT (0.43) PTGESMAPTALDH1A1HPGDMAPK1
SCHEMBL3868941 0.94 MAPT (0.43) PTGESMAPTALDH1A1HPGDMAPK1
SCHEMBL3862239 0.86 ATG4B (0.41) PTGESMAPTALDH1A1HPGDLMNA
SCHEMBL3862233 0.86 ATG4B (0.41) PTGESMAPTALDH1A1HPGDLMNA
SCHEMBL204085 0.84 KAT2B (0.43) PTGESHPGDLMNAATMEGFR
SCHEMBL202444 0.84 PTGES (0.41) PTGESMAPTALDH1A1HPGDMAPK1
SCHEMBL1949229 0.84 ALDH1A1 (0.48) MAPTALDH1A1HPGDMAPK1LMNA
SCHEMBL1949232 0.84 ALDH1A1 (0.48) MAPTALDH1A1HPGDMAPK1LMNA
SCHEMBL3871117 0.83 GSTM2 (0.41) PTGESMAPTALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 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 (2 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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 PTGES 296/4885MAPT 4429/4885ALDH1A1 730/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 PTGES 296/4885MAPT 4429/4885ALDH1A1 730/4885

“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.