SCHEMBL3496156

SCHEMBL3496156

[CH2]CCNc1nc2cc(F)ccc2n2ccnc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.52
HTR3B O95264 2/20 0.52
HTR3A P46098 2/20 0.52
HTR3D Q70Z44 2/20 0.52
HTR3C Q8WXA8 2/20 0.52
MAPK8 P45983 9/20 0.51
IKBKB O14920 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3495550 0.86 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13340671 0.76 KDM4E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14044179 0.73 MAPK8 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3496299 0.71 MAPK8 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3495071 0.71 MAPK8 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3495173 0.71 MAPK8 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3496822 0.71 MAPK8 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31746848 0.71 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8103067 0.69 MAPK8 (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8118265 0.69 MAPK8 (0.73) 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 5 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-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
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 HTR3E 4801/4885HTR3B 4755/4885HTR3A 4457/4885

“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.