SCHEMBL3501033

SCHEMBL3501033

O=Cc1cc2c(cc1C(F)(F)F)nc(NCCCO)c1nccn12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.39
IKBKB O14920 1/20 0.36
BRD4 O60885 8/20 0.35
MAST3 O60307 1/20 0.31
MAPK9 P45984 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3497316 0.90 MAPK8 (0.39) MAPK8IKBKBBRD4
SCHEMBL3495750 0.85 MAPK8 (0.40) MAPK8IKBKBBRD4
SCHEMBL3496822 0.79 MAPK8 (0.46) MAPK8IKBKBBRD4
SCHEMBL3497382 0.79 MAPK8 (0.53) MAPK8IKBKBBRD4
SCHEMBL3495173 0.79 MAPK8 (0.47) MAPK8IKBKBBRD4ALDH1A1
SCHEMBL3495265 0.77 MAPK8 (0.41) MAPK8IKBKBBRD4ALDH1A1
SCHEMBL3496165 0.76 MAPK8 (0.45) MAPK8IKBKBBRD4ALDH1A1
SCHEMBL3495550 0.75 HTR3E (0.50) MAPK8IKBKBBRD4ALDH1A1
SCHEMBL3496028 0.74 BRD4 (0.52) MAPK8BRD4
SCHEMBL3496299 0.73 MAPK8 (0.49) MAPK8IKBKBBRD4ALDH1A1

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-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
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

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 MAPK8 4234/4885IKBKB 945/4885BRD4 1472/4885

“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.