SCHEMBL2654322

SCHEMBL2654322

N#Cc1cc(F)ccc1-c1nccc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.39
CNR1 P21554 6/20 0.38
CNR2 P34972 3/20 0.38
EGLN2 Q96KS0 1/20 0.37
LRRK2 Q5S007 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA3 P34903 2/20 0.36
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
USP47 Q96K76 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL2653585 0.76 GABRA1 (0.47) CYP11B2CNR1CNR2LRRK2GABRA1
SCHEMBL2652445 0.76 CYP11B2 (0.40) CYP11B2CNR2GABRA1GABRG2GABRB3
SCHEMBL24084181 0.74 AR (0.39) CYP11B2CNR1CNR2USP8USP7
SCHEMBL21116203 0.73 USP8 (0.42) CYP11B2GABRA1GABRG2GABRB3GABRA3
SCHEMBL2652165 0.72 SQOR (0.39) CYP11B2CNR1CNR2USP8USP7
SCHEMBL2653145 0.72 CNR1 (0.41) CYP11B2CNR1CNR2GABRA1GABRG2
SCHEMBL1481701 0.69 VCAM1 (0.48) CYP11B2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14744345 0.68 RORC (0.45) CYP11B2CNR1CNR2EGLN2USP8
SCHEMBL25992009 0.68 ADORA1 (0.44) CNR1CNR2GABRA1GABRG2GABRB3
SCHEMBL21020966 0.67 CYP3A4 (0.37) CYP11B2CNR1CNR2ALDH1A1CYP1A2

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-7226926-B2 8-fluoroimidazo 1,2-a pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. (GB) 2007-06-05 US disclosed
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP disclosed
US-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-03-09 US disclosed
EP-1511748-A1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2003099817-A1 8-FLUORIMIDAZO`1,2-A!PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 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-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 CYP11B2 567/4885CNR1 83/4885CNR2 88/4885

“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.