SCHEMBL3495003

SCHEMBL3495003

FC(F)(F)c1cc2nc(Cl)c3nccn3c2cc1Br

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.33
IKBKB O14920 1/20 0.33
GRIA1 P42261 2/20 0.32
GRIA2 P42262 2/20 0.32
GRIA3 P42263 2/20 0.32
GRIA4 P48058 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 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
SCHEMBL119071 0.76 HTR3E (0.39) IKBKBGRIA1GRIA2GRIA3GRIA4
SCHEMBL3498276 0.76 KDM4E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17895298 0.76 IKBKB (0.42) IKBKB
SCHEMBL8118650 0.75 GRIN2D (0.49) IKBKBGRIA1GRIA2GRIA3GRIA4
SCHEMBL3497495 0.74 MAPK8 (0.48)
SCHEMBL24832295 0.73 IKBKB (0.45) IKBKBGRIA1GRIA2GRIA3GRIA4
SCHEMBL3496046 0.73 HTR3E (0.40) IKBKBGRIA1GRIA2GRIA3GRIA4
SCHEMBL124220 0.73 IKBKB (0.43) IKBKBGRIA1GRIA2GRIA3GRIA4
SCHEMBL121472 0.71 HTR3E (0.45) IKBKBGRIA1GRIA2GRIA3GRIA4
SCHEMBL3497122 0.70 HTR3E (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 US disclosed
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 US disclosed
EP-2155750-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES Mutabilis SA (FR) 2010-02-24 EP disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 WO disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 WO disclosed
EP-1972629-A1 New imidazolo-heteroaryl derivatives with antibacterial properties Mutabilis SA (FR) 2008-09-24 EP disclosed
EP-1972629-A1 New imidazolo-heteroaryl derivatives with antibacterial properties Mutabilis SA (FR) 2008-09-24 EP 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-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES DLAT, DLST, DNTT RPS6KA5 1702/4885IKBKB 945/4885GRIA1 1776/4885

“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.