SCHEMBL14130758

SCHEMBL14130758

CC(=O)Oc1ccccc1C#Cc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
SCD O00767 9/20 0.50
GBA1 P04062 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL14130759 0.89 SCD (0.52) KDM4ESMN1; SMN2LMNASCDGBA1
SCHEMBL3830773 0.84 SCD (0.55) KDM4ESMN1; SMN2LMNASCDGBA1
SCHEMBL3829390 0.84 SCD (0.59) KDM4ESMN1; SMN2LMNASCDGBA1
SCHEMBL14130760 0.84 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2LMNASCDGBA1
SCHEMBL3828484 0.83 SCD (0.51) KDM4ESMN1; SMN2LMNASCDGBA1
SCHEMBL3826308 0.83 SCD (0.54) KDM4ESMN1; SMN2LMNASCDGBA1
SCHEMBL3826413 0.82 SCD (0.55) KDM4ESMN1; SMN2LMNASCDGBA1
SCHEMBL3826477 0.82 SCD (0.56) KDM4ESMN1; SMN2LMNASCDGBA1
SCHEMBL3831513 0.82 SCD (0.56) KDM4ESMN1; SMN2LMNASCDGBA1
SCHEMBL14130734 0.81 SCD (0.59) KDM4ESMN1; SMN2LMNASCDGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA KDM4E 1815/4885SMN1; SMN2 2065/4885LMNA 823/4885

“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.