SCHEMBL4843130

SCHEMBL4843130

Nc1nc2c(-c3ccc(C(F)(F)F)cc3)cccc2s1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 1/20 0.48
SCN4A P35499 1/20 0.48
PDPK1 O15530 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
PDE10A Q9Y233 1/20 0.47
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ENPP1 P22413 2/20 0.44
JAK2 O60674 1/20 0.44
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
TOP1 P11387 2/20 0.42
MPL P40238 2/20 0.40
LTA4H P09960 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL4850036 0.85 ALDH1A1 (0.51) SMN1; SMN2PDPK1ALDH1A1LMNAPDE10A
SCHEMBL4851511 0.82 ENPP1 (0.50) ALDH1A1ENPP1JAK2TOP1KIF11
SCHEMBL4846110 0.82 ENPP1 (0.44) ALDH1A1ENPP1JAK2TOP1KIF11
SCHEMBL1806582 0.81 ALDH1A1 (0.56) SMN1; SMN2PDPK1ALDH1A1LMNAPDE10A
SCHEMBL4846268 0.81 PDPK1 (0.54) SMN1; SMN2EPHX2SCN4APDPK1ALDH1A1
SCHEMBL4846424 0.80 ALDH1A1 (0.60) SMN1; SMN2PDPK1ALDH1A1LMNAPDE10A
SCHEMBL4848399 0.80 SMN1; SMN2 (0.51) SMN1; SMN2PDPK1ALDH1A1LMNAPDE10A
SCHEMBL12637463 0.79 ENPP1 (0.41) SMN1; SMN2ENPP1JAK2TOP1
SCHEMBL31744888 0.78 SMN1; SMN2 (0.53) SMN1; SMN2EPHX2SCN4APDPK1ALDH1A1
SCHEMBL1913695 0.74 ALDH1A1 (0.61) SMN1; SMN2EPHX2SCN4APDPK1ALDH1A1

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-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
EP-1670794-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2006-06-21 EP disclosed
US-20050153984-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-07-14 US disclosed
WO-2005033105-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-04-14 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-20050153984-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 SMN1; SMN2 2664/4885EPHX2 4341/4885SCN4A 663/4885

“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.