SCHEMBL5388908

SCHEMBL5388908

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1C(=O)C2CCC(C2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.57
▸ KMT2A Q03164 2/20 0.54
▸ PDK1 Q15118 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ EPHX2 P34913 2/20 0.50
▸ RECQL P46063 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ GRM4 Q14833 1/20 0.47
▸ TRPV1 Q8NER1 2/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TMPRSS4 Q9NRS4 1/20 0.46

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
SCHEMBL5383096 0.86 AR (0.46) KDRGRM4
SCHEMBL5376240 0.79 EPHX2 (0.50) KMT2AMAPTEPHX2MEN1
SCHEMBL5911707 0.79 KDR (0.58) KDRKMT2APDK1MAPTEPHX2
SCHEMBL5911832 0.79 KDR (0.58) KDRKMT2APDK1MAPTEPHX2
SCHEMBL5374656 0.78 SMN1; SMN2 (0.56) KMT2AMAPTEPHX2SMN1; SMN2MEN1
SCHEMBL5911648 0.77 KDR (0.56) KDRKMT2APDK1MAPTEPHX2
SCHEMBL5371798 0.77 MAPT (0.45) KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL11493547 0.77 KDR (0.58) KDRKMT2APDK1MAPTEPHX2
SCHEMBL9835641 0.75 KDR (0.78) KDRKMT2APDK1MAPTNPSR1
SCHEMBL5911685 0.75 KDR (0.53) KDRKMT2APDK1MAPTEPHX2

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-7179943-B2 Bicyclic derivatives that modulate voltage-gated potassium channels and methods of use thereof WYETH (US) 2007-02-20 — — US claimed
US-20060004108-A1 Bicyclic derivatives that modulate voltage-gated potassium channels and methods of use thereof WYETH (US) 2006-01-05 — — US claimed
US-7179943-B2 Bicyclic derivatives that modulate voltage-gated potassium channels and methods of use thereof WYETH (US) 2007-02-20 — — US disclosed
US-20060004108-A1 Bicyclic derivatives that modulate voltage-gated potassium channels and methods of use thereof WYETH (US) 2006-01-05 — — US 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-20060004108-A1 Bicyclic derivatives that modulate voltage-gated potassium channels and methods of use thereof KCNAB1, KCNA1, KCNN1 KDR 1571/4885KMT2A 1307/4885PDK1 314/4885

“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.

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