SCHEMBL13340671

SCHEMBL13340671

C[C@@H](N)C(=O)OCCCNc1nc2cc(F)ccc2n2ccnc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
BRD4 O60885 12/20 0.41
MAPK8 P45983 4/20 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 0.80 HTR3E (0.50) KDM4EALDH1A1LMNAHPGDHTR3E
SCHEMBL3496156 0.76 HTR3E (0.52) KDM4EALDH1A1LMNAHPGDHTR3E
SCHEMBL3495071 0.68 MAPK8 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3496299 0.68 MAPK8 (0.49) ALDH1A1LMNAHTR3EHTR3BHTR3A
SCHEMBL3495173 0.68 MAPK8 (0.47) KDM4EALDH1A1LMNAHPGDHTR3E
SCHEMBL3496028 0.67 BRD4 (0.52) BRD4MAPK8
SCHEMBL3496822 0.67 MAPK8 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13340307 0.66 MAPK8 (0.45) KDM4EALDH1A1LMNAHPGDHTR3E
SCHEMBL17895250 0.65 MAPK8 (0.66) BRD4MAPK8
SCHEMBL14044179 0.65 MAPK8 (0.48) KDM4EALDH1A1LMNAHPGDHTR3E

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 6 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
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 KDM4E 1703/4885ALDH1A1 1002/4885LMNA 4169/4885

“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.