SCHEMBL3495779

SCHEMBL3495779

Nc1cc(C(F)(F)F)c(Br)cc1-n1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2C19 P33261 4/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
IDO1 P14902 3/20 0.47
CLK4 Q9HAZ1 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADH5 P11766 2/20 0.36
TSHR P16473 1/20 0.34
GRIA1 P42261 1/20 0.34

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
SCHEMBL3496197 0.77 GRIK1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL4829700 0.73 IDO1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL25025011 0.73 IDO1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL31053840 0.73 IDO1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL2935531 0.73 ALDH1A1 (0.66) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL994454 0.73 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL3496026 0.72 MEN1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL8129450 0.71 GRIA1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL28003331 0.71 IDO1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL8552163 0.70 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19LMNA

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 CYP1A2 1880/4885CYP3A4 1179/4885CYP2D6 654/4885

“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.