SCHEMBL3089437

SCHEMBL3089437

ON=Cc1c(F)ccc(Cl)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 17/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CHRNB2 P17787 1/20 0.36
CYP2B6 P20813 1/20 0.36
MAOA P21397 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
EPAS1 Q99814 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32

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
SCHEMBL3089434 1.00 NOTUM (0.38) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL5802974 0.78 HTT (0.36) CYP1A2CYP2C9CYP2C19HPGDHTT
SCHEMBL10518873 0.78 CA12 (0.38) CYP1A2CYP2C9CYP2C19HPGDHTT
SCHEMBL5802975 0.78 HTT (0.36) CYP1A2CYP2C9CYP2C19HPGDHTT
SCHEMBL1591369 0.77 NOTUM (0.41) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL18502976 0.76 NOTUM (0.38) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL18508604 0.76 NOTUM (0.38) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL7550001 0.74 CA12 (0.38) CYP1A2CYP2C9MAOACYP2C19HPGD
SCHEMBL7550008 0.74 CA12 (0.38) CYP1A2CYP2C9MAOACYP2C19HPGD
SCHEMBL1751285 0.74 CA12 (0.40) CYP1A2CYP2C9CYP2C19EPAS1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
EP-2164837-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2010-03-24 EP disclosed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 WO disclosed
WO-2006064484-A1 AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 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-20100227870-A1 Novel Compounds GRM5, GRIK5, GRM1 NOTUM 3054/4885CYP1A2 3987/4885CYP2C9 4110/4885

“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.